SCHEMBL587804

SCHEMBL587804

CNc1nccc(-c2cc(Cl)cnc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.47
DYRK1A Q13627 1/20 0.47
MAPK14 Q16539 2/20 0.43
BRAF P15056 1/20 0.43
JAK2 O60674 1/20 0.43
PIK3CA P42336 3/20 0.43
PIK3CG P48736 3/20 0.43
PIK3CB P42338 2/20 0.43
PDPK1 O15530 1/20 0.42
AURKA O14965 3/20 0.41
AURKB Q96GD4 3/20 0.41
TPX2 Q9ULW0 2/20 0.41
MAPK9 P45984 2/20 0.40
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
TTK P33981 1/20 0.40
INCENP Q9NQS7 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL580408 0.78 DYRK1A (0.52) ROCK1DYRK1AMAPK14BRAFAURKA
SCHEMBL1266195 0.76 AURKB (0.49) ROCK1DYRK1AMAPK14JAK2PIK3CA
SCHEMBL1136855 0.67
SCHEMBL16205496 0.66 GSK3B (0.47) DYRK1APDPK1AURKAAURKBTTK
SCHEMBL12723234 0.66 DYRK1A (0.54) DYRK1APIK3CAPIK3CGPDPK1MAPK9
SCHEMBL8233833 0.66 DYRK1A (0.56) DYRK1APIK3CAPIK3CGPDPK1AURKA
SCHEMBL17819109 0.66 DYRK1A (0.49) ROCK1DYRK1AMAPK14PIK3CAPIK3CG
SCHEMBL5316895 0.65 TDP1 (0.63) DYRK1AMAPK14JAK2PIK3CGPDPK1
SCHEMBL10917879 0.65 ABL1 (0.51) ROCK1DYRK1AMAPK14PIK3CAPIK3CG
SCHEMBL20691186 0.65 EIF2AK2 (0.67) DYRK1AMAPK9FLT3MAPK8MAPK10

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 11 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-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
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-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
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 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 (4 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 ROCK1 71/4885DYRK1A 462/4885MAPK14 1046/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 ROCK1 85/4885DYRK1A 392/4885MAPK14 712/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB ROCK1 71/4885DYRK1A 462/4885MAPK14 1046/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB ROCK1 71/4885DYRK1A 462/4885MAPK14 1046/4885

“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.