SCHEMBL4466064

SCHEMBL4466064

CCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.87
TEK Q02763 15/20 0.78
KIT P10721 14/20 0.78
FLT1 P17948 1/20 0.63
AURKA O14965 2/20 0.61
AURKB Q96GD4 2/20 0.61
CDK19 Q9BWU1 1/20 0.61

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
SCHEMBL4478284 0.93 KDR (1.00) KDRTEKKITFLT1AURKA
SCHEMBL4470132 0.92 KDR (0.82) KDRTEKKITFLT1AURKA
SCHEMBL4472150 0.91 KDR (0.74) KDRTEKKITFLT1
SCHEMBL4478452 0.91 KDR (0.80) KDRTEKKITFLT1AURKA
SCHEMBL4470994 0.91 KDR (0.80) KDRTEKKITFLT1AURKA
SCHEMBL4462868 0.91 KDR (0.80) KDRTEKKITFLT1AURKA
SCHEMBL4476377 0.91 KDR (0.80) KDRTEKKITFLT1AURKA
SCHEMBL4474069 0.90 KDR (0.79) KDRTEKKITFLT1AURKA
SCHEMBL4472981 0.90 KDR (0.80) KDRTEKKITFLT1AURKA
SCHEMBL4479965 0.88 KDR (1.00) KDRTEKKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487841-B1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBVIE INC (US) 2014-01-15 EP disclosed
US-7560552-B2 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES (US) 2009-07-14 US disclosed
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 US disclosed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 US disclosed
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US 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 (3 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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 425/4885TEK 328/4885KIT 394/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 KDR 391/4885TEK 324/4885KIT 361/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 425/4885TEK 328/4885KIT 394/4885

“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.