SCHEMBL3999989

SCHEMBL3999989

Cc1ccc(C(N)=O)nc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
PIM1 P11309 1/20 0.43
NNMT P40261 2/20 0.42
DGAT1 O75907 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
SIRT3 Q9NTG7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
WEE1 P30291 2/20 0.38
MYT1 Q01538 2/20 0.38
PKMYT1 Q99640 2/20 0.38
CDK1 P06493 1/20 0.38
CREBBP Q92793 1/20 0.38
POLB P06746 1/20 0.37
SYK P43405 2/20 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
SCHEMBL13824470 0.81 PIM1 (0.42) PIM1NNMTDGAT1KDM4EL3MBTL1
SCHEMBL12488275 0.81 PIM1 (0.42) NOS3NOS1NOS2PIM1NNMT
SCHEMBL2828385 0.81 PIM1 (0.50) PIM1NNMTDGAT1KDM4EL3MBTL1
SCHEMBL3580429 0.80 NOS3 (0.43) NOS3NOS1NOS2KDM4EL3MBTL1
SCHEMBL701941 0.80 KDM4E (0.60) NOS3NOS1NOS2KDM4EL3MBTL1
SCHEMBL26684509 0.79 PIM1 (0.41) PIM1NNMTDGAT1KDM4ELMNA
Hydrochloric Acid SCHEMBL28633319 0.79 PIM1 (0.41) PIM1NNMTDGAT1KDM4ELMNA
SCHEMBL2254372 0.79 POLB (0.47) PIM1NNMTDGAT1L3MBTL1LMNA
SCHEMBL31507586 0.79 PIM1 (0.41) PIM1NNMTDGAT1KDM4ELMNA
SCHEMBL15890320 0.79 DGAT1 (0.42) PIM1NNMTDGAT1LMNASIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868037-A Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2020-10-30 CN claimed
US-9701691-B2 Thienopyrimidine compounds HOFFMAN-LA ROCHE INC. (US) 2017-07-11 US claimed
EP-2802590-B1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-03-01 EP claimed
EP-2802590-A1 THIENOPYRIMIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2014-11-19 EP claimed
WO-2013104575-A1 THIENOPYRIMIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO claimed
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US claimed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US claimed
EP-0921800-A4 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL MYERS SQUIBB CO (US) 2000-12-06 EP claimed
EP-0921800-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-16 EP claimed
WO-1997029748-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-21 WO claimed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
WO-2023122140-A1 PARP1 INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-06-29 WO disclosed
CN-115768760-A Quinoxaline derivatives as anti-cancer agents 阿斯利康(瑞典)有限公司 2023-03-07 CN disclosed
CN-115715194-A Methods of treating coronavirus disease 2019 辉瑞公司 2023-02-24 CN disclosed
CN-114728941-A Substituted 1, 5-naphthyridines or quinolines as ALK5 inhibitors 施万生物制药研发IP有限责任公司 2022-07-08 CN disclosed
EP-2802590-A1 THIENOPYRIMIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2014-11-19 EP disclosed
WO-2013104575-A1 THIENOPYRIMIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
WO-2009072643-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-11 WO 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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 NOS3 943/4885NOS1 1819/4885NOS2 2004/4885
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS SYK, BTK, LCK NOS3 1977/4885NOS1 1238/4885NOS2 1193/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 NOS3 3425/4885NOS1 3662/4885NOS2 3629/4885
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 NOS3 3498/4885NOS1 4173/4885NOS2 3801/4885

“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.