SCHEMBL3145019

SCHEMBL3145019

CC1(C)CC(=O)Nc2cc(NC(=O)c3cccnc3F)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
CIT O14578 1/20 0.50
MAP3K7 O43318 1/20 0.50
RIPK2 O43353 1/20 0.50
STK10 O94804 1/20 0.50
MAP4K4 O95819 1/20 0.50
ABL1 P00519 1/20 0.50
EGFR P00533 1/20 0.50
RAF1 P04049 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
CSF1R P07333 1/20 0.50
YES1 P07947 1/20 0.50
LYN P07948 1/20 0.50
RET P07949 1/20 0.50
HCK P08631 1/20 0.50
PDGFRB P09619 1/20 0.50
FGR P09769 1/20 0.50
KIT P10721 1/20 0.50

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
SCHEMBL4092040 0.84 ABL1 (0.55) TNKSTNKS2CITMAP3K7RIPK2
SCHEMBL6105956 0.83 KDR (0.66) TNKSTNKS2CITMAP3K7RIPK2
SCHEMBL3155435 0.83 KDR (0.59) TNKSTNKS2CITMAP3K7RIPK2
SCHEMBL5421091 0.82 CIT (0.52) TNKSTNKS2CITMAP3K7RIPK2
SCHEMBL4978601 0.82 ABL1 (0.52) TNKSTNKS2CITMAP3K7RIPK2
SCHEMBL9312251 0.81 TNKS (0.52) TNKSTNKS2CITMAP3K7RIPK2
SCHEMBL11889623 0.81 TNKS (0.44) TNKSTNKS2CITMAP3K7RIPK2
SCHEMBL3159833 0.80 KDR (0.79) CITMAP3K7RIPK2STK10MAP4K4
SCHEMBL9313780 0.80 TNKS (0.53) TNKSTNKS2CITMAP3K7RIPK2
SCHEMBL4975600 0.80 TNKS (0.57) TNKSTNKS2CITMAP3K7RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
US-7101868-B2 Substituted arylamine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US disclosed
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases AMGEN INC. 2006-02-23 US disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 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 (9 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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR TNKS 1682/4885TNKS2 2169/4885CIT 3644/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC TNKS 1024/4885TNKS2 1369/4885CIT 2898/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR TNKS 1682/4885TNKS2 2169/4885CIT 3644/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR TNKS 1682/4885TNKS2 2169/4885CIT 3644/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 TNKS 1124/4885TNKS2 1543/4885CIT 1281/4885
US-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS TNKS 1867/4885TNKS2 2255/4885CIT 2181/4885
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases EDNRA, PTGIS, EDNRB TNKS 1656/4885TNKS2 2108/4885CIT 821/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC TNKS 1024/4885TNKS2 1369/4885CIT 2898/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 TNKS 1942/4885TNKS2 2182/4885CIT 2239/4885

“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.