Sugi Predict

Sugi Predict / Compounds / SCHEMBL322264

SCHEMBL322264

SCHEMBL322264

CC(C)(C)c1ncc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GPR3 P46089 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ GLA P06280 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ CYP2A6 P11509 1/20 0.38
▸ NCF1 P14598 2/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ PLA2G1B P04054 2/20 0.35
▸ ATG4B Q9Y4P1 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FDPS P14324 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
SCHEMBL25822858 0.84 CYP1A2 (0.40) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL30368951 0.84 CYP1A2 (0.40) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL10271363 0.81 CYP1A2 (0.38) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL10707622 0.81 KDM4E (0.43) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL10704355 0.81 KDM4E (0.43) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL18574401 0.81 CYP1A2 (0.35) CYP1A2HTR3AHRH4
SCHEMBL30200294 0.79 MAPT (0.43) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL3622982 0.79 MAPT (0.43) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL26018132 0.78 CYP1A2 (0.36) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL9928482 0.76 ALDH1A1 (0.43) CYP1A2KDM4EALDH1A1MAPTADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 — — US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
US-11840538-B2 Heterocyclic compounds and organic light emitting device using the same LG CHEM, LTD. (KR) 2023-12-12 — — US disclosed
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors DISC MEDICINE, INC. (US) 2023-11-14 — — US disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 — — US disclosed
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-09-28 — — US disclosed
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-09-28 — — US disclosed
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 — — US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 — — US disclosed
WO-2007053498-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 — — WO disclosed
US-20070099899-A1 Heterocyclic dihydropyrimidine compounds ATWAL KARNAIL S 2007-05-03 — — US disclosed
US-20070099899-A1 Heterocyclic dihydropyrimidine compounds ATWAL KARNAIL S 2007-05-03 — — US disclosed
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 — — US disclosed
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 — — US disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 — — US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 — — US disclosed
US-7157451-B2 Heterocyclic dihydropyrimidine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 — — 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 (14 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP1A2 603/4885HTR3A 3101/4885HRH4 3409/4885
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP11B2, WEE2, CYP11B1 CYP1A2 137/4885HTR3A 3814/4885HRH4 3328/4885
US-12016852-B2 Pyrrolidine glycosidase inhibitors PREP, GAA, DNPEP CYP1A2 1540/4885HTR3A 3031/4885HRH4 3021/4885
US-20070082909-A1 Acyclic Ikur inhibitors KCNH2, KCNJ2, KCNH3 CYP1A2 1878/4885HTR3A 1034/4885HRH4 1386/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 CYP1A2 703/4885HTR3A 10/4885HRH4 385/4885
US-20070093470-A1 LXR modulators NR1H2, NR1H3, RXRB CYP1A2 238/4885HTR3A 1350/4885HRH4 1432/4885
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators NR1H2, NR1H3, NR1I2 CYP1A2 203/4885HTR3A 775/4885HRH4 464/4885
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 CYP1A2 691/4885HTR3A 11/4885HRH4 351/4885
US-11840538-B2 Heterocyclic compounds and organic light emitting device using the same CRY1, CYP1A1, CRY2 CYP1A2 7/4885HTR3A 2198/4885HRH4 1647/4885
US-20070099899-A1 Heterocyclic dihydropyrimidine compounds KCNJ2, KCNQ5, KCNQ2 CYP1A2 2538/4885HTR3A 3185/4885HRH4 875/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CYP1A2 4278/4885HTR3A 251/4885HRH4 855/4885
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF OCIAD1, OCIAD2, OSTC CYP1A2 292/4885HTR3A 3922/4885HRH4 2642/4885
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors GFPT1, MPST, XPNPEP1 CYP1A2 1036/4885HTR3A 3829/4885HRH4 3418/4885
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors BACE1, BACE2, BCHE CYP1A2 359/4885HTR3A 517/4885HRH4 777/4885

“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.