SCHEMBL1317675

SCHEMBL1317675

Nc1ncnc2c1c(-c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)nn2C1CCOC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.58
FLT1 P17948 4/20 0.58
AURKA O14965 3/20 0.58
AURKB Q96GD4 3/20 0.58
LCK P06239 3/20 0.58
RET P07949 3/20 0.58
LYN P07948 2/20 0.58
FLT4 P35916 2/20 0.58
FLT3 P36888 2/20 0.58
BLK P51451 2/20 0.58
DCLK1 O15075 1/20 0.58
DYRK3 O43781 1/20 0.58
ROCK2 O75116 1/20 0.58
MAP4K4 O95819 1/20 0.58
CHEK2 O96017 1/20 0.58
NTRK1 P04629 1/20 0.58
CDK1 P06493 1/20 0.58
ROS1 P08922 1/20 0.58
FGFR1 P11362 1/20 0.58
RPS6KB1 P23443 1/20 0.58

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
SCHEMBL1319544 1.00 KDR (0.58) KDRFLT1AURKAAURKBLCK
SCHEMBL1317672 1.00 KDR (0.58) KDRFLT1AURKAAURKBLCK
SCHEMBL1317738 0.90 ITK (0.59) KDRLCKRETBLKEPHA2
SCHEMBL1317335 0.90 ITK (0.59) KDRLCKRETBLKEPHA2
SCHEMBL1317331 0.90 ITK (0.59) KDRLCKRETBLKEPHA2
SCHEMBL1317898 0.90 ITK (0.61) KDRFLT1AURKAAURKBLCK
SCHEMBL12120734 0.88 AURKB (0.67) KDRFLT1AURKAAURKBLCK
SCHEMBL12120726 0.88 AURKB (0.67) KDRFLT1AURKAAURKBLCK
SCHEMBL1320312 0.86 KDR (0.57) KDRFLT1AURKAAURKBLCK
SCHEMBL1321162 0.86 KDR (0.57) KDRFLT1AURKAAURKBLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358720-B1 FUSED RING HETEROARYL KINASE INHIBITORS UNIV CALIFORNIA (US) 2016-03-02 EP disclosed
EP-2358720-B1 FUSED RING HETEROARYL KINASE INHIBITORS UNIV CALIFORNIA (US) 2016-03-02 EP disclosed
US-8980899-B2 Methods of inhibiting Ire1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-17 US disclosed
US-8980899-B2 Methods of inhibiting Ire1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-17 US disclosed
US-8980899-B2 Methods of inhibiting Ire1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-17 US disclosed
US-8697709-B2 Fused ring heteroaryl kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-04-15 US disclosed
US-20120322814-A1 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-20 US disclosed
US-20120322814-A1 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-20 US disclosed
US-20120322814-A1 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-20 US disclosed
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 US disclosed
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 US disclosed
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 US disclosed
EP-2358720-A2 FUSED RING HETEROARYL KINASE INHIBITORS The Regents of the University of California (US) 2011-08-24 EP disclosed
WO-2010045542-A2 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-22 WO disclosed
WO-2010045542-A2 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-22 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 (2 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-20120322814-A1 METHODS OF INHIBITING IRE1 XBP1, DNAJC10, HSPA5 KDR 4859/4885FLT1 4868/4885AURKA 4253/4885
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK KDR 837/4885FLT1 1283/4885AURKA 349/4885

“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.