SCHEMBL581004

SCHEMBL581004

NCc1ncnc(-c2cccnc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
MAPT P10636 4/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL6530231 0.78 FGFR2 (0.52) NPC1RAB9AMAPTPKMMEN1
SCHEMBL581207 0.78 NPC1 (0.41) NPC1RAB9AMAPTPKMMEN1
SCHEMBL1265327 0.77 DPP4 (0.40) DPP4NPC1RAB9AMAPTPKM
SCHEMBL1265121 0.73 DPP4 (0.39) DPP4NPC1RAB9AMAPTPKM
SCHEMBL581005 0.71 FGFR3 (0.43) NPC1RAB9AMAPTPKMFGFR2
SCHEMBL28129152 0.70 CSF1R (0.46) DPP4NPC1RAB9AMEN1KMT2A
SCHEMBL27761013 0.70 NPC1 (0.50) NPC1RAB9AMAPTPKMMEN1
SCHEMBL1265628 0.70 DPP4 (0.39) DPP4NPC1RAB9AMAPTPKM
SCHEMBL3037374 0.67
SCHEMBL27580144 0.67 ALDH1A1 (0.42) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
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
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US disclosed
EP-2418209-A1 Aurora kinase modulators and method of use Amgen Inc. (US) 2012-02-15 EP disclosed
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AMGEN INC. (US) 2011-10-27 US disclosed
US-8022221-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-09-20 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-7560551-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
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 disclosed
US-20060009453-A1 Protein kinase modulators and method of use AMGEN INC. 2006-01-12 US disclosed
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 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 (6 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-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB DPP4 4388/4885NPC1 1051/4885RAB9A 1770/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 DPP4 4603/4885NPC1 996/4885RAB9A 2470/4885
US-20060009453-A1 Protein kinase modulators and method of use PHKG1, PRKCH, BMP2K DPP4 2859/4885NPC1 4619/4885RAB9A 1773/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB DPP4 4388/4885NPC1 1051/4885RAB9A 1770/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB DPP4 4388/4885NPC1 1051/4885RAB9A 1770/4885
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE GRK4, MAP4K5, GRK5 DPP4 2776/4885NPC1 4497/4885RAB9A 1979/4885

“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.