SCHEMBL586975

SCHEMBL586975

CNc1ncc(F)c(-c2cccnc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.40
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
FEN1 P39748 1/20 0.36
CCND1 P24385 6/20 0.35
CDK6 Q00534 6/20 0.35
KDR P35968 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
DYRK1A Q13627 2/20 0.34
DHODH Q02127 1/20 0.34
PAK1 Q13153 2/20 0.34
MERTK Q12866 1/20 0.34
PAK3 O75914 1/20 0.34
MAP2K4 P45985 1/20 0.34
SIK1 P57059 1/20 0.34
TEK Q02763 1/20 0.34
PAK2 Q13177 1/20 0.34
MELK Q14680 1/20 0.34

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
SCHEMBL1263981 0.80 RPS6KA5 (0.43) NPC1MAPTRAB9ADYRK1ADHODH
SCHEMBL1265121 0.74 DPP4 (0.39) NPC1MAPTRAB9ADYRK1ADHODH
SCHEMBL580408 0.73 DYRK1A (0.52) KDRDYRK1ATEK
SCHEMBL581005 0.73 FGFR3 (0.43) KDRNPC1MAPTRAB9ATEK
SCHEMBL17045827 0.71 S100A4 (0.44) NPC1MAPTRAB9A
SCHEMBL24710618 0.69 CCND1 (0.61) CCND1CDK6
SCHEMBL3805701 0.69 ADORA1 (0.47) RPS6KA3ADORA2BADORA1FEN1NPC1
SCHEMBL21549451 0.69 JAK2 (0.49) MAPT
SCHEMBL2053870 0.66 KDM4E (0.44) RPS6KA3MAPTDHODH
SCHEMBL20764165 0.65 ADORA1 (0.53) ADORA2BADORA1CDK6KDRMERTK

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 20 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
CN-101405282-A Aurora kinase modulators and methods of use AMGEN INC (US) 2009-04-08 CN disclosed
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 WO 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 RPS6KA3 183/4885ADORA2B 729/4885ADORA1 413/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 RPS6KA3 263/4885ADORA2B 759/4885ADORA1 442/4885
US-20060009453-A1 Protein kinase modulators and method of use PHKG1, PRKCH, BMP2K RPS6KA3 83/4885ADORA2B 937/4885ADORA1 1769/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB RPS6KA3 183/4885ADORA2B 729/4885ADORA1 413/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB RPS6KA3 183/4885ADORA2B 729/4885ADORA1 413/4885
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE GRK4, MAP4K5, GRK5 RPS6KA3 87/4885ADORA2B 665/4885ADORA1 1091/4885

“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.