SCHEMBL1317552

SCHEMBL1317552

Nc1ncnc2c1c(-c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)nn2CCCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.62
PDGFRB P09619 3/20 0.62
HDAC1 Q13547 3/20 0.62
FLT1 P17948 5/20 0.60
KIT P10721 5/20 0.60
AURKB Q96GD4 4/20 0.60
LCK P06239 3/20 0.60
LYN P07948 3/20 0.60
FLT4 P35916 3/20 0.60
BLK P51451 3/20 0.60
TEK Q02763 3/20 0.60
AURKA O14965 3/20 0.60
FLT3 P36888 3/20 0.60
RET P07949 3/20 0.60
DYRK3 O43781 2/20 0.60
ROCK2 O75116 2/20 0.60
MAP4K4 O95819 2/20 0.60
NTRK1 P04629 2/20 0.60
FGFR1 P11362 2/20 0.60
RPS6KB1 P23443 2/20 0.60

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
SCHEMBL1319125 0.89 RIPK1 (0.59) KDRPDGFRBHDAC1FLT1KIT
SCHEMBL12120731 0.87 KDR (0.79) KDRPDGFRBHDAC1FLT1KIT
SCHEMBL12120638 0.87 KDR (0.57) KDRPDGFRBHDAC1FLT1KIT
SCHEMBL17551049 0.87 KDR (0.62) KDRPDGFRBHDAC1KITAURKB
SCHEMBL1317908 0.86 AURKB (0.76) KDRFLT1KITAURKBLCK
SCHEMBL1318875 0.82 RET (0.77) KDRFLT1KITAURKBLCK
SCHEMBL29496472 0.82 RET (0.77) KDRFLT1KITAURKBLCK
SCHEMBL1317898 0.80 ITK (0.61) KDRFLT1KITAURKBLCK
SCHEMBL12120727 0.78 KDR (0.64) KDRPDGFRBHDAC1FLT1KIT
SCHEMBL12120643 0.77 RIPK1 (0.54) KDRPDGFRBHDAC1LCKLYN

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
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-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-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-2011047384-A2 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-04-21 WO 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 4859/4885PDGFRB 4308/4885HDAC1 3480/4885
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK KDR 837/4885PDGFRB 801/4885HDAC1 656/4885

“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.