SCHEMBL1640905

SCHEMBL1640905

Cc1cc2[nH]nc(N)c2cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 10/20 0.46
JAK2 O60674 3/20 0.46
AURKA O14965 2/20 0.45
TGFBR1 P36897 2/20 0.45
ROCK1 Q13464 2/20 0.45
AURKB Q96GD4 2/20 0.45
UHRF1 Q96T88 1/20 0.43
DYRK1A Q13627 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 5/20 0.41
CHUK O15111 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
KDR P35968 1/20 0.39
SYK P43405 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL24699338 0.86 GSK3A (0.53) PDPK1JAK2AURKATGFBR1ROCK1
SCHEMBL7920974 0.83 ADORA2A (0.47) MAPK1
SCHEMBL29425164 0.80 MAPK1 (0.35) UHRF1MAPK1
SCHEMBL16516902 0.80 MAPK1 (0.35) UHRF1MAPK1
SCHEMBL12466691 0.78 JAK2 (0.44) PDPK1JAK2DYRK1AGSK3AGSK3B
SCHEMBL10139762 0.76 JAK2 (0.50) PDPK1JAK2AURKATGFBR1ROCK1
SCHEMBL16517231 0.74 PRKAG1 (0.44) MAPK1
SCHEMBL20018656 0.73 MAPK1 (0.64) MAPK1
SCHEMBL14072809 0.72 PDPK1 (0.70) PDPK1JAK2AURKATGFBR1ROCK1
SCHEMBL15866280 0.71 LMNA (0.44) MAPK1

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
EP-3648753-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmatech Limited (KY) 2020-05-13 EP disclosed
CN-111093645-A Selective inhibitors of clinically important mutants of EGFR tyrosine kinase CS制药技术有限公司 2020-05-01 CN disclosed
US-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 US disclosed
WO-2019010295-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2019-01-10 WO disclosed
EP-2155203-B1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2018-10-17 EP disclosed
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2018-09-06 US disclosed
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 US disclosed
US-9296740-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2016-03-29 US disclosed
EP-1906965-B1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2015-05-06 EP disclosed
US-20130338157-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2013-12-19 US disclosed
US-8383630-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2013-02-26 US disclosed
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2011-04-28 US disclosed
US-7777035-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-08-17 US disclosed
US-20090252779-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2009-10-08 US disclosed
US-7524845-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2009-04-28 US disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 US disclosed
US-20070010524-A1 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-01-11 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 (8 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-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 PDPK1 2369/4885JAK2 602/4885AURKA 4036/4885
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 PDPK1 2369/4885JAK2 602/4885AURKA 4036/4885
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 PDPK1 2369/4885JAK2 602/4885AURKA 4036/4885
US-20070010524-A1 Azaindazole compounds and methods of use CCR1, CCR3, CCR4 PDPK1 2369/4885JAK2 602/4885AURKA 4036/4885
US-20090252779-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 PDPK1 2369/4885JAK2 602/4885AURKA 4036/4885
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 PDPK1 2369/4885JAK2 602/4885AURKA 4036/4885
US-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 PDPK1 1229/4885JAK2 19/4885AURKA 235/4885
US-20130338157-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 PDPK1 2369/4885JAK2 602/4885AURKA 4036/4885

“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.