SCHEMBL4469181

SCHEMBL4469181

Nc1ccc(-c2nsc3ncnc(N)c23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 1.00
FLT1 P17948 5/20 0.52
KIT P10721 4/20 0.52
TEK Q02763 4/20 0.52
FLT4 P35916 4/20 0.52
MAP4K4 O95819 4/20 0.48
RET P07949 4/20 0.48
CLK2 P49760 4/20 0.48
GSK3B P49841 4/20 0.48
RPS6KA3 P51812 4/20 0.48
MAP4K2 Q12851 4/20 0.48
ROCK1 Q13464 4/20 0.48
CLK4 Q9HAZ1 4/20 0.48
AURKA O14965 4/20 0.48
AURKB Q96GD4 4/20 0.48
LCK P06239 3/20 0.48
CSF1R P07333 3/20 0.48
FGFR1 P11362 3/20 0.48
NTRK2 Q16620 3/20 0.48
TAOK1 Q7L7X3 2/20 0.48

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
SCHEMBL4479244 0.81 KDR (0.68) KDRFLT1KITTEKFLT4
SCHEMBL4478592 0.81 KDR (0.68) KDRFLT1KITTEKFLT4
SCHEMBL21436418 0.77 KDR (0.62) KDRFLT1KITTEKFLT4
SCHEMBL31165917 0.77 KDR (0.62) KDRFLT1KITTEKFLT4
SCHEMBL4478732 0.73 KDR (0.57) KDRFLT1FLT4MAP4K4RET
SCHEMBL3985507 0.72 KDR (0.55) KDRFLT1KITTEKFLT4
SCHEMBL4473533 0.70 KDR (1.00) KDRFLT1KITTEKFLT4
SCHEMBL4486113 0.70 KDR (0.77) KDRFLT1KITTEKFLT4
SCHEMBL13764536 0.69 KDR (0.53) KDRFLT1KITTEKFLT4
SCHEMBL3982004 0.69 KDR (0.52) KDRFLT1KITTEKFLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560552-B2 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES (US) 2009-07-14 US claimed
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 425/4885FLT1 337/4885KIT 394/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 KDR 391/4885FLT1 459/4885KIT 361/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 425/4885FLT1 337/4885KIT 394/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 462/4885FLT1 357/4885KIT 359/4885

“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.