SCHEMBL2210697

SCHEMBL2210697

CCc1cc(-c2ccc(Cl)cc2)nnc1Nc1ccc(Oc2ccnc3cc(OC)cnc23)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.36
PIK3CB P42338 3/20 0.36
PIK3CG P48736 3/20 0.36
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
TGFBR1 P36897 1/20 0.34
MET P08581 5/20 0.34
KDR P35968 4/20 0.34
PDGFRA P16234 1/20 0.34
ACP1 P24666 1/20 0.34
YES1 P07947 1/20 0.33
CYP3A4 P08684 2/20 0.33
P2RX3 P56373 1/20 0.33
JAK2 O60674 1/20 0.33
EGFR P00533 1/20 0.33
CDK2 P24941 1/20 0.33
PTK2B Q14289 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
PABPC1 P11940 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
SCHEMBL2210176 0.92 YES1 (0.42) AXLMERTKTGFBR1METKDR
SCHEMBL3698351 0.91 PIK3CA (0.41) PIK3CAPIK3CBPIK3CGMETKDR
SCHEMBL3694325 0.83 FGFR2 (0.40) AXLMETKDRPDGFRAACP1
SCHEMBL3704091 0.82 YES1 (0.48) METKDRPDGFRAYES1CYP3A4
SCHEMBL2207808 0.81 KDR (0.47) KDRACP1MEN1USP2KMT2A
SCHEMBL3711136 0.77 MET (0.43) METACP1YES1CYP3A4
SCHEMBL3698189 0.76 YES1 (0.46) METKDRPDGFRAYES1CYP3A4
SCHEMBL2206413 0.76 FGFR2 (0.39) AXLMETKDRPDGFRAYES1
SCHEMBL3707719 0.75 YES1 (0.47) METKDRPDGFRAYES1CYP3A4
SCHEMBL3705744 0.74 MET (0.45) AXLMETKDRPDGFRAYES1

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 14 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-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 PIK3CA 116/4885PIK3CB 190/4885PIK3CG 257/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 PIK3CA 116/4885PIK3CB 190/4885PIK3CG 257/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 PIK3CA 116/4885PIK3CB 190/4885PIK3CG 257/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 PIK3CA 116/4885PIK3CB 190/4885PIK3CG 257/4885

“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.