SCHEMBL2210176

SCHEMBL2210176

CCc1cc(-c2ccccc2)nnc1Nc1ccc(Oc2ccnc3cc(OC)cnc23)nc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
YES1 P07947 2/20 0.42
MET P08581 11/20 0.40
CYP3A4 P08684 2/20 0.40
ACP1 P24666 1/20 0.38
FGFR2 P21802 2/20 0.36
ABL1 P00519 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36
TGFBR1 P36897 1/20 0.34
PRKACG P22612 1/20 0.34
IGF1R P08069 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL2210697 0.92 PIK3CA (0.36) YES1METCYP3A4ACP1MEN1
SCHEMBL3704091 0.91 YES1 (0.48) YES1METCYP3A4FGFR2PRKACG
SCHEMBL3698189 0.84 YES1 (0.46) YES1METCYP3A4FGFR2PRKACG
SCHEMBL3707719 0.83 YES1 (0.47) YES1METCYP3A4FGFR2PRKACG
SCHEMBL3694325 0.83 FGFR2 (0.40) YES1METCYP3A4ACP1FGFR2
SCHEMBL3698351 0.82 PIK3CA (0.41) YES1METACP1FGFR2ABL1
SCHEMBL2206270 0.82 MAPT (0.46) ACP1MEN1USP2KMT2AKDR
SCHEMBL2209662 0.81 YES1 (0.44) YES1METCYP3A4MEN1KMT2A
SCHEMBL3701368 0.79 YES1 (0.50) YES1METCYP3A4FGFR2ABL1
SCHEMBL2206413 0.77 FGFR2 (0.39) YES1METCYP3A4FGFR2AXL

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 13 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 claimed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US claimed
EP-2137177-A2 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2009-12-30 EP claimed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US claimed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 WO claimed
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 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 YES1 295/4885MET 567/4885CYP3A4 3294/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 YES1 295/4885MET 567/4885CYP3A4 3294/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 YES1 295/4885MET 567/4885CYP3A4 3294/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 YES1 295/4885MET 567/4885CYP3A4 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.