SCHEMBL4488080

SCHEMBL4488080

COc1cc(-c2c(C)sc3ncnc(N)c23)ccc1NC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.76
KIT P10721 16/20 0.76
TEK Q02763 16/20 0.76
FLT3 P36888 1/20 0.62
AURKA O14965 1/20 0.56

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
SCHEMBL4475245 0.92 KDR (0.75) KDRKITTEKFLT3AURKA
SCHEMBL4473089 0.90 KDR (0.81) KDRKITTEKFLT3AURKA
SCHEMBL4479014 0.90 KDR (0.81) KDRKITTEKFLT3AURKA
SCHEMBL4488194 0.88 KDR (0.79) KDRKITTEKFLT3AURKA
SCHEMBL4478244 0.87 KDR (0.74) KDRKITTEKFLT3AURKA
SCHEMBL4475401 0.87 KDR (0.77) KDRKITTEKFLT3AURKA
SCHEMBL4488145 0.87 KDR (1.00) KDRKITTEKFLT3AURKA
SCHEMBL4471717 0.84 KDR (0.83) KDRKITTEKFLT3AURKA
SCHEMBL4470538 0.83 KDR (0.78) KDRKITTEKFLT3AURKA
SCHEMBL4479943 0.82 KDR (1.00) KDRKITTEKFLT3AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-09-25 US claimed
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
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-09-25 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 (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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 425/4885KIT 394/4885TEK 328/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 KDR 391/4885KIT 361/4885TEK 324/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 425/4885KIT 394/4885TEK 328/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 462/4885KIT 359/4885TEK 340/4885

“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.