Sugi Predict

Sugi Predict / Compounds / SCHEMBL12045002

SCHEMBL12045002

SCHEMBL12045002

CC(C)c1cncc2ccncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ MAOA P21397 2/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ IMPDH2 P12268 3/20 0.35
▸ HTT P42858 2/20 0.34
▸ PRKCZ Q05513 1/20 0.34
▸ TNF P01375 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ LATS1 O95835 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31345172 0.86 LMNA (0.40) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL29959182 0.86 LMNA (0.40) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL12045006 0.86 LMNA (0.40) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL27317245 0.80 HTT (0.40) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2607316 0.78 TNF (0.49) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2607435 0.78 ADRA2A (0.44) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL29875062 0.78 ADRA2A (0.44) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL12789724 0.76 MAOA (0.40) KDM4EHTR2AHTR2CHTR2BMAOA
SCHEMBL12778210 0.75 PRKCZ (0.44) RPS6KA3PRKCZCLK1DYRK1AHASPIN
SCHEMBL2607319 0.74 LMNA (0.53) LMNAKDM4ECYP1A2CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 — — WO disclosed
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 — — US disclosed
US-11560389-B2 Heterocyclic inhibitors of monocarboxylate transporters UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-01-24 — — US disclosed
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2022-12-06 — — US disclosed
US-20210094969-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-04-01 — — US disclosed
US-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-12-31 — — US disclosed
US-10851113-B2 Heterocyclic inhibitors of monocarboxylate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-01 — — US disclosed
US-10723728-B2 Prodrugs of Nh-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2020-07-28 — — US disclosed
US-20190330228-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-10-31 — — US disclosed
US-20190282582-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-09-19 — — US disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 — — US disclosed
US-8796276-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2014-08-05 — — US disclosed
US-20140051852-A1 Process for Synthesizing Oxidized Lactam Compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2014-02-20 — — US disclosed
US-8536328-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2013-09-17 — — US disclosed
US-8431576-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2013-04-30 — — US disclosed
US-20130096089-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders ALKERMES PHARMA IRELAND LIMITED 2013-04-18 — — US disclosed
US-20110319422-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES ALKERMES, INC. (US) 2011-12-29 — — US disclosed
US-20110275803-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS ALKERMES, INC. (US) 2011-11-10 — — US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 — — US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130096089-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE LMNA 1349/4885KDM4E 3267/4885CYP1A2 132/4885
US-20140051852-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L LMNA 2901/4885KDM4E 2156/4885CYP1A2 17/4885
US-20190282582-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS SLC16A1, SLC16A3, SLC16A7 LMNA 4533/4885KDM4E 474/4885CYP1A2 2168/4885
US-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE LMNA 1349/4885KDM4E 3267/4885CYP1A2 132/4885
US-10851113-B2 Heterocyclic inhibitors of monocarboxylate transporters SLC16A1, SLC16A3, SLC16A7 LMNA 3820/4885KDM4E 946/4885CYP1A2 934/4885
US-20210094969-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 LMNA 4020/4885KDM4E 797/4885CYP1A2 1205/4885
US-11560389-B2 Heterocyclic inhibitors of monocarboxylate transporters SLC16A1, SLC16A3, SLC16A7 LMNA 4020/4885KDM4E 797/4885CYP1A2 1205/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE LMNA 1349/4885KDM4E 3267/4885CYP1A2 132/4885
US-20110275803-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS COASY, DHPS, OXA1L LMNA 2901/4885KDM4E 2156/4885CYP1A2 17/4885
US-20190330228-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 LMNA 4381/4885KDM4E 758/4885CYP1A2 1915/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 LMNA 2642/4885KDM4E 944/4885CYP1A2 994/4885
US-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 LMNA 2642/4885KDM4E 944/4885CYP1A2 994/4885
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE LMNA 1349/4885KDM4E 3267/4885CYP1A2 132/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 LMNA 1865/4885KDM4E 580/4885CYP1A2 4793/4885
US-20110319422-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES PHPT1, SI, CA6 LMNA 2841/4885KDM4E 591/4885CYP1A2 1838/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE LMNA 1349/4885KDM4E 3267/4885CYP1A2 132/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.