SCHEMBL8737260

SCHEMBL8737260

Cc1ncc(C(C)C)nn1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL6124123 0.75 APLNR (0.32)
SCHEMBL25522602 0.73 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL5950443 0.72 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL23844419 0.71 APLNR (0.30)
SCHEMBL14804005 0.70
SCHEMBL23844601 0.70
SCHEMBL12500833 0.69
SCHEMBL17716525 0.69 TP53 (0.31)
SCHEMBL18174957 0.69 CYP3A4 (0.38)
SCHEMBL2629415 0.67

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-20230150946-A1 HETEROCYCLE CONTAINING STAT INHIBITORS AND COMPOSITIONS OXFORD FINANCE LLC 2023-05-18 US disclosed
US-11530207-B2 Compounds for the treatment of cancer SKYHAWK THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-20210292316-A1 COMPOUNDS FOR THE TREATMENT OF CANCER SKYHAWK THERAPEUTICS, INC. 2021-09-23 US disclosed
US-9893300-B1 Phenanthroimidazole compound and organic light-emitting diode including the same NATIONAL TSING HUA UNIVERSITY (TW) 2018-02-13 US disclosed
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20150099738-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2015-04-09 US disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2012-11-01 US disclosed
US-8247418-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-08-21 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 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 (15 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-20230150946-A1 HETEROCYCLE CONTAINING STAT INHIBITORS AND COMPOSITIONS STAT5A, STAT5B, STAT3 NOS3 3085/4885NOS1 3464/4885NOS2 3496/4885
US-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A NOS3 3731/4885NOS1 3973/4885NOS2 3807/4885
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A NOS3 491/4885NOS1 367/4885NOS2 624/4885
US-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NOS3 4452/4885NOS1 4159/4885NOS2 4563/4885
US-11530207-B2 Compounds for the treatment of cancer SNRPE, HNRNPUL2, HNRNPM NOS3 2198/4885NOS1 2439/4885NOS2 2490/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NOS3 4061/4885NOS1 3507/4885NOS2 4038/4885
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A NOS3 491/4885NOS1 367/4885NOS2 624/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A NOS3 1085/4885NOS1 673/4885NOS2 1555/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NOS3 4019/4885NOS1 4104/4885NOS2 4517/4885
US-20150099738-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOS3 1790/4885NOS1 1881/4885NOS2 1665/4885
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT NOS3 2960/4885NOS1 2185/4885NOS2 2535/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 NOS3 2485/4885NOS1 2004/4885NOS2 2249/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NOS3 4253/4885NOS1 4348/4885NOS2 4647/4885
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A NOS3 279/4885NOS1 379/4885NOS2 881/4885
US-20210292316-A1 COMPOUNDS FOR THE TREATMENT OF CANCER SNRPE, HNRNPUL2, HNRNPM NOS3 2198/4885NOS1 2439/4885NOS2 2490/4885

“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.