SCHEMBL12045006

SCHEMBL12045006

CC(C)c1cncc2cnccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
RPS6KA3 P51812 1/20 0.37
IMPDH2 P12268 3/20 0.36
LATS1 O95835 4/20 0.35
LATS2 Q9NRM7 4/20 0.35
HASPIN Q8TF76 1/20 0.35

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 1.00 LMNA (0.40) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL29959182 1.00 LMNA (0.40) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL12045002 0.86 LMNA (0.39) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2607319 0.80 LMNA (0.53) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL27317248 0.80 HTT (0.41) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2607435 0.79 ADRA2A (0.44) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL29875062 0.79 ADRA2A (0.44) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL12789725 0.77 CYP1A2 (0.40) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL20990532 0.77 HASPIN (0.38) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL20315030 0.76 RPS6KA3 (0.42) LMNAKDM4ECYP1A2MAPKAPK2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
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-20230002407-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-11325930-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2022-05-10 US disclosed
EP-3896064-A1 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVES AS CANCER OSAKA THYROID (COT) MODULATORS FOR TREATING CROHN'S DISEASE AND ULCERATIVE COLITIS Gilead Sciences, Inc. (US) 2021-10-20 EP disclosed
US-11066414-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2021-07-20 US disclosed
US-20210147454-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2021-05-20 US disclosed
EP-3456717-B1 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVE AS CANCER OSAKA THYROID (COT) MODULATOR FOR TREATING INFLAMMATORY DISEASE GILEAD SCIENCES INC (US) 2021-03-17 EP disclosed
US-20140051852-A1 Process for Synthesizing Oxidized Lactam Compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2014-02-20 US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 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
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 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 (13 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-11325930-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS LMNA 3781/4885KDM4E 1288/4885CYP1A2 4427/4885
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-20230002407-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS LMNA 3781/4885KDM4E 1288/4885CYP1A2 4427/4885
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L LMNA 4667/4885KDM4E 405/4885CYP1A2 78/4885
US-11066414-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS LMNA 3781/4885KDM4E 1288/4885CYP1A2 4427/4885
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-20210147454-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS LMNA 3781/4885KDM4E 1288/4885CYP1A2 4427/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 LMNA 2642/4885KDM4E 944/4885CYP1A2 994/4885
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-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS LMNA 3781/4885KDM4E 1288/4885CYP1A2 4427/4885
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.