SCHEMBL1536432

SCHEMBL1536432

COc1cc2ccccc2cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 5/20 0.55
RAB9A P51151 4/20 0.55
CYP1A2 P05177 3/20 0.54
CYP2A6 P11509 2/20 0.54
PDPK1 O15530 1/20 0.48
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47

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
SCHEMBL30746959 1.00 KDM4E (0.57) KDM4ENPC1RAB9ACYP1A2CYP2A6
SCHEMBL14248268 0.94 KDM4E (0.52) KDM4ENPC1RAB9ACYP1A2CYP2A6
SCHEMBL11883542 0.82 CYP1A2 (0.52) KDM4ENPC1RAB9ACYP1A2CYP2A6
SCHEMBL17919704 0.79 CYP2A6 (0.52) KDM4ENPC1RAB9ACYP1A2CYP2A6
SCHEMBL3372681 0.79 CYP1A2 (0.50) KDM4ENPC1RAB9ACYP1A2CYP2A6
SCHEMBL12632888 0.79 NPC1 (0.58) KDM4ENPC1RAB9ACYP1A2CYP2A6
SCHEMBL12250941 0.79 GABRP (0.54) KDM4ENPC1RAB9ACYP1A2CYP2A6
SCHEMBL6971528 0.78 CYP1A2 (0.48) KDM4ENPC1RAB9ACYP1A2CYP2A6
SCHEMBL21965360 0.78 GABRP (0.51) KDM4ENPC1RAB9ACYP1A2CYP2A6
SCHEMBL587832 0.78 MAPT (0.42) KDM4ENPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903192-A Preparation method of 3-methoxy isoquinoline compound intermediate 上海相辉医药科技有限公司 2024-04-19 CN claimed
US-12187681-B2 Ion channel antagonists/blockers and uses thereof SHANGHAI EAST HOSPITAL (CN) 2025-01-07 US disclosed
WO-2024088069-A1 PREPARATION FOR AROMATIC KRAS MUTANT PROTEIN INHIBITOR AND USE THEREOF 药雅科技(上海)有限公司 2024-05-02 WO disclosed
CN-117903192-A Preparation method of 3-methoxy isoquinoline compound intermediate 上海相辉医药科技有限公司 2024-04-19 CN disclosed
CN-117903192-A Preparation method of 3-methoxy isoquinoline compound intermediate 上海相辉医药科技有限公司 2024-04-19 CN disclosed
CN-117903192-A Preparation method of 3-methoxy isoquinoline compound intermediate 上海相辉医药科技有限公司 2024-04-19 CN disclosed
CN-114401935-B Ion channel antagonists/blockers and uses thereof 上海市东方医院(同济大学附属东方医院) 2024-04-05 CN disclosed
CN-117327053-A Preparation method of PKC inhibitor darovasertib 云南万宏医药科技有限公司 2024-01-02 CN disclosed
CN-117263959-A Preparation and application of aromatic KRAS mutant protein inhibitor 药雅科技(上海)有限公司 2023-12-22 CN disclosed
US-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof SHANGHAI EAST HOSPITAL (CN) 2023-01-19 US disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
US-6599908-B1 Potent and selective inhibitors of the protein tyrosine kinases p56lck and p59fyn CELLTECH R & D LIMITED (GB) 2003-07-29 US disclosed
US-6057329-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-05-02 US disclosed
EP-0946523-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-06 EP disclosed
WO-1998028281-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-07-02 WO disclosed
US-4075344-A 3-ALKOXYISOQUINOLINES FOR HYPOTENSIVE AND VASODILATING EFFECTS MEAD JOHNSON & COMPANY (US) 1978-02-21 US disclosed
US-4015006-A 3(2H)-Isoquinolones therapeutic process MEAD JOHNSON & COMPANY (US) 1977-03-29 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 (3 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-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof CACNA1F, CACNA1S, CACNA1D KDM4E 3795/4885NPC1 355/4885RAB9A 3351/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 KDM4E 2792/4885NPC1 378/4885RAB9A 617/4885
US-12187681-B2 Ion channel antagonists/blockers and uses thereof CACNA1F, CACNA1S, CACNA1D KDM4E 3795/4885NPC1 355/4885RAB9A 3351/4885

“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.