SCHEMBL2210862

SCHEMBL2210862

CCc1cc(-c2ccc(C)cc2)nnc1Nc1ccc(Sc2ccnc3cc(OC)cnc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.38
PDGFRA P16234 1/20 0.38
YES1 P07947 3/20 0.36
MET P08581 12/20 0.35
CYP3A4 P08684 4/20 0.35
ABL1 P00519 2/20 0.34
NTRK1 P04629 2/20 0.34
PIM1 P11309 1/20 0.34
MAPK1 P28482 1/20 0.34
HIPK1 Q86Z02 1/20 0.34
PTGS2 P35354 1/20 0.33
KCNH2 Q12809 1/20 0.33
ACP1 P24666 1/20 0.33

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
SCHEMBL2209662 0.92 YES1 (0.44) KDRPDGFRAYES1METCYP3A4
SCHEMBL3711136 0.87 MET (0.43) YES1METCYP3A4KCNH2ACP1
SCHEMBL3694325 0.85 FGFR2 (0.40) KDRPDGFRAYES1METCYP3A4
SCHEMBL3698351 0.77 PIK3CA (0.41) KDRPDGFRAYES1METABL1
SCHEMBL3704091 0.77 YES1 (0.48) KDRPDGFRAYES1METCYP3A4
SCHEMBL15663626 0.75 KDR (0.39) KDRPDGFRAYES1METCYP3A4
SCHEMBL15663295 0.75 MAPT (0.55) KDRPDGFRAYES1CYP3A4
SCHEMBL2209181 0.74 KDR (0.41) KDRPDGFRAYES1METCYP3A4
SCHEMBL15663410 0.74 MAPT (0.45) KDRPDGFRACYP3A4
SCHEMBL2209534 0.74 MAPT (0.48) KDRYES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US disclosed
US-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 US disclosed
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2010-11-04 US disclosed
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US disclosed
EP-2137177-A2 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2009-12-30 EP disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 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 (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-20140336182-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, CDK1 KDR 644/4885PDGFRA 1102/4885YES1 295/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 KDR 644/4885PDGFRA 1102/4885YES1 295/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KDR 644/4885PDGFRA 1102/4885YES1 295/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KDR 644/4885PDGFRA 1102/4885YES1 295/4885

“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.