SCHEMBL2211889

SCHEMBL2211889

COc1cnc2c(Oc3ccc(Br)nc3)ccnc2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 3/20 0.41
PDGFRB P09619 2/20 0.41
MET P08581 5/20 0.40
FGFR2 P21802 3/20 0.40
EGFR P00533 1/20 0.40
KDR P35968 2/20 0.36
AURKA O14965 1/20 0.36
TEK Q02763 1/20 0.36
AURKB Q96GD4 1/20 0.36
DDR2 Q16832 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CYP3A4 P08684 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
SCHEMBL2206780 0.82 FGFR2 (0.43) PDGFRAPDGFRBMETFGFR2KDR
SCHEMBL22188203 0.81 DDR2 (0.54) PDGFRAPDGFRBMETFGFR2EGFR
SCHEMBL14953424 0.78 PDGFRB (0.68) PDGFRAPDGFRBMETFGFR2EGFR
SCHEMBL29576652 0.78 PDGFRB (0.68) PDGFRAPDGFRBMETFGFR2EGFR
SCHEMBL24010607 0.76 MET (0.39) PDGFRAPDGFRBMETFGFR2KDR
SCHEMBL22407507 0.76 FGFR2 (0.46) PDGFRAMETFGFR2KDRDDR2
SCHEMBL22407508 0.74 CA1 (0.51) PDGFRAMETFGFR2KDRDDR2
SCHEMBL2204142 0.73 FGFR2 (0.49) PDGFRAPDGFRBFGFR2KDR
SCHEMBL31734677 0.73 CSF1R (0.44) PDGFRAPDGFRBMETFGFR2KDR
SCHEMBL5599118 0.73 PDGFRB (0.52) PDGFRAPDGFRBMETKDR

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 PDGFRA 1102/4885PDGFRB 1235/4885MET 567/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 PDGFRA 1102/4885PDGFRB 1235/4885MET 567/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 PDGFRA 1102/4885PDGFRB 1235/4885MET 567/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 PDGFRA 1102/4885PDGFRB 1235/4885MET 567/4885

“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.