SCHEMBL2298752

SCHEMBL2298752

CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c(C)c2C)n1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.82
TEK Q02763 14/20 0.82
YES1 P07947 1/20 0.70
AURKB Q96GD4 9/20 0.68
AURKA O14965 8/20 0.68
TPX2 Q9ULW0 5/20 0.68
LCK P06239 4/20 0.68
MAPK14 Q16539 2/20 0.68
ABL1 P00519 1/20 0.68
CSF1R P07333 1/20 0.68
KIT P10721 1/20 0.68
SRC P12931 1/20 0.68
BRAF P15056 1/20 0.56
TNNI3K Q59H18 1/20 0.56

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
SCHEMBL1265610 0.94 TEK (0.72) KDRTEKYES1AURKBAURKA
SCHEMBL1266233 0.94 TEK (0.71) KDRTEKYES1AURKBAURKA
SCHEMBL1264180 0.91 TEK (0.68) KDRTEKYES1AURKBAURKA
SCHEMBL12895421 0.91 KDR (0.79) KDRTEKYES1AURKBAURKA
SCHEMBL1264825 0.90 TEK (0.67) KDRTEKYES1AURKBAURKA
SCHEMBL2298875 0.90 KDR (1.00) KDRTEKYES1AURKBAURKA
SCHEMBL1265530 0.89 TEK (0.77) KDRTEKYES1AURKBAURKA
SCHEMBL1265381 0.89 TEK (0.65) KDRTEKYES1AURKBAURKA
SCHEMBL1266463 0.89 TEK (0.65) KDRTEKYES1AURKBAURKA
SCHEMBL1266239 0.89 TEK (0.66) KDRTEKYES1AURKBAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751136-B1 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC (US) 2014-07-02 EP claimed
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US claimed
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-08-18 US claimed
EP-1751136-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-02-14 EP claimed
US-20060009453-A1 Protein kinase modulators and method of use AMGEN INC. 2006-01-12 US claimed
WO-2005113494-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2005-12-01 WO claimed
EP-1751136-B1 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC (US) 2014-07-02 EP disclosed
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US disclosed
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US disclosed
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-08-18 US disclosed
US-7880000-B2 N-(5-(1,1- dimethylethyl)-3- isoxazolyl)-4-methyl-3- ((3-(4-pyrimidinyl)-2- pyridinyl)amino)benzamide, used for treating breast cancer or rheumatoid arthritis AMGEN INC. (US) 2011-02-01 US disclosed
US-7880000-B2 N-(5-(1,1- dimethylethyl)-3- isoxazolyl)-4-methyl-3- ((3-(4-pyrimidinyl)-2- pyridinyl)amino)benzamide, used for treating breast cancer or rheumatoid arthritis AMGEN INC. (US) 2011-02-01 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 (2 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-20060009453-A1 Protein kinase modulators and method of use PHKG1, PRKCH, BMP2K KDR 58/4885TEK 215/4885YES1 614/4885
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE GRK4, MAP4K5, GRK5 KDR 42/4885TEK 145/4885YES1 548/4885

“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.