SCHEMBL200813

SCHEMBL200813

COc1ccc2c(Sc3ccccc3)ccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.53
KDR P35968 1/20 0.53
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.49
HTR1A P08908 2/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
KCNH2 Q12809 1/20 0.47
GRM4 Q14833 1/20 0.47
EGFR P00533 2/20 0.46
FERMT2 Q96AC1 1/20 0.45
SLC22A12 Q96S37 1/20 0.44
TLR8 Q9NR97 2/20 0.44
MET P08581 2/20 0.43
PRKACG P22612 1/20 0.43
GAK O14976 1/20 0.43
RIPK2 O43353 1/20 0.43
COQ8A Q8NI60 1/20 0.43
NLK Q9UBE8 1/20 0.43

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
SCHEMBL2747125 0.84 PDGFRA (0.60) PDGFRAKDREGFRMET
SCHEMBL19633683 0.82 CYP3A4 (0.42) PDGFRAKDRCYP3A4CYP1A2HTR1A
SCHEMBL19633520 0.81 MAOB (0.46) PDGFRAKDRCYP3A4CYP1A2HTR1A
SCHEMBL18647496 0.80 HTR1A (0.55) PDGFRAKDRCYP3A4CYP1A2HTR1A
SCHEMBL7480661 0.80 PDGFRA (0.76) PDGFRAKDREGFRMET
SCHEMBL22407361 0.80 KDR (0.59) PDGFRAKDRCYP3A4CYP1A2HTR1A
SCHEMBL7487186 0.80 KDR (0.58) PDGFRAKDREGFR
SCHEMBL2207642 0.79 CYP1A2 (0.46) PDGFRAKDRCYP3A4CYP1A2HTR1A
SCHEMBL15663572 0.78 MAPT (0.53) PDGFRAKDRCYP3A4EGFRLMNA
SCHEMBL20782679 0.78 KDR (0.57) PDGFRAKDRCYP1A2HTR1AADRA1D

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017198196-A1 QUINOLINE DERIVATIVE HAVING ANTI-TUMOR ACTIVITY 王子厚 2017-11-23 WO disclosed
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
EP-1881976-B1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-10-17 EP disclosed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 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
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 US disclosed
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 US disclosed
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 US disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 WO disclosed
EP-1881976-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS Amgen Inc., (US) 2008-01-30 EP disclosed
WO-2006116713-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2006-11-02 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-20140336182-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, CDK1 PDGFRA 1102/4885KDR 644/4885CYP3A4 3294/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 PDGFRA 1102/4885KDR 644/4885CYP3A4 3294/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 PDGFRA 1102/4885KDR 644/4885CYP3A4 3294/4885
US-20080312232-A1 Substituted amide derivatives and methods of use HGF, HGFAC, MET PDGFRA 19/4885KDR 200/4885CYP3A4 384/4885
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET PDGFRA 24/4885KDR 304/4885CYP3A4 354/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 PDGFRA 1102/4885KDR 644/4885CYP3A4 3294/4885

“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.