SCHEMBL2614918

SCHEMBL2614918

Cc1cccnc1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
CYP2A6 P11509 2/20 0.44
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSP90AA1 P07900 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HSD17B1 P14061 1/20 0.40
PLAU P00749 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.37
CHRM5 P08912 1/20 0.37
CHKA P35790 1/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
MAPK1 P28482 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37

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
SCHEMBL20684691 0.82 NOS3 (0.45) NOS3NOS1NOS2CYP2A6NPC1
SCHEMBL14676529 0.82 NOS3 (0.50) NOS3NOS1NOS2CYP2A6NPC1
SCHEMBL30800111 0.79 NOS3 (0.46) NOS3NOS1NOS2CYP2A6NPC1
SCHEMBL14237018 0.79 NOS3 (0.46) NOS3NOS1NOS2CYP2A6NPC1
SCHEMBL14318485 0.79 NOS3 (0.46) NOS3NOS1NOS2CYP2A6NPC1
SCHEMBL13145773 0.79 CYP2A6 (0.43) NOS3NOS1NOS2CYP2A6NPC1
SCHEMBL14818774 0.79 NOS3 (0.42) NOS3NOS1NOS2CYP2A6NPC1
SCHEMBL13180377 0.79 NOS3 (0.42) NOS3NOS1NOS2CYP2A6NPC1
SCHEMBL16257950 0.77 NOS3 (0.41) NOS3NOS1NOS2CYP2A6NPC1
SCHEMBL13125705 0.77 MEN1 (0.47) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
WO-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 WO disclosed
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 EP disclosed
WO-2023001061-A1 CDK7 SELECTIVE INHIBITORS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2023-01-26 WO 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
EP-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 EP 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
WO-2020239074-A1 BICYCLIC COMPOUND AS RIP-1 KINASE INHIBITOR AND APPLICATION THEREOF 南京明德新药研发有限公司 2020-12-03 WO disclosed
EP-2935247-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2019-08-28 EP disclosed
US-20070088020-A1 2-imino-1,3-thiazine derivatives HANASAKI KOJI 2007-04-19 US disclosed
US-7183275-B2 2-imino-1,3-thiazine derivatives SHIONOGI CO., LTD. (JP) 2007-02-27 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-6906078-B2 Method of using (H+/K+) ATPase inhibitors as antiviral agents PHARMACIA CORPORATION (US) 2005-06-14 US disclosed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US disclosed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US disclosed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed
EP-0457386-B1 Process for the preparation of a secondary amine and catalysts therefor SHELL INT RESEARCH (NL) 1994-12-14 EP disclosed
US-4772619-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1988-09-20 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 (4 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 NOS3 521/4885NOS1 782/4885NOS2 785/4885
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 NOS3 967/4885NOS1 1323/4885NOS2 2004/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 NOS3 2371/4885NOS1 2071/4885NOS2 2203/4885
US-20070088020-A1 2-imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C NOS3 3467/4885NOS1 4128/4885NOS2 3726/4885

“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.