SCHEMBL4486498

SCHEMBL4486498

Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3F)c12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 10/20 0.82
FLT1 P17948 9/20 0.82
FLT3 P36888 9/20 0.82
CSF1R P07333 7/20 0.82
AURKA O14965 7/20 0.82
LCK P06239 6/20 0.82
FGFR1 P11362 6/20 0.82
FGFR3 P22607 5/20 0.82
GSK3B P49841 5/20 0.82
PLK4 O00444 5/20 0.82
ABL1 P00519 5/20 0.82
NTRK1 P04629 5/20 0.82
FYN P06241 5/20 0.82
LYN P07948 5/20 0.82
RPS6KB1 P23443 5/20 0.82
MARK3 P27448 5/20 0.82
BLK P51451 5/20 0.82
RPS6KA3 P51812 5/20 0.82
NEK2 P51955 5/20 0.82
LIMK1 P53667 5/20 0.82

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
SCHEMBL4487735 0.95 KIT (0.82) KITFLT1FLT3CSF1RAURKA
SCHEMBL4478281 0.92 KIT (0.78) KITFLT1FLT3CSF1RAURKA
SCHEMBL546436 0.90 KIT (1.00) KITFLT1FLT3CSF1RAURKA
SCHEMBL30055372 0.90 KIT (1.00) KITFLT1FLT3CSF1RAURKA
SCHEMBL4471036 0.90 KIT (0.75) KITFLT1FLT3CSF1RAURKA
Hydrochloric Acid SCHEMBL4301600 0.89 KIT (0.98) KITFLT1FLT3CSF1RAURKA
Bromide SCHEMBL5436521 0.89 KIT (0.98) KITFLT1FLT3CSF1RAURKA
SCHEMBL4466205 0.89 KDR (0.77) KITFLT1FLT3CSF1RAURKA
SCHEMBL4485286 0.87 KDR (0.80) KITFLT1FLT3CSF1RAURKA
Alcohol SCHEMBL3238965 0.87 FLT1 (0.93) KITFLT1FLT3CSF1RAURKA

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 4 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-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 (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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KIT 394/4885FLT1 337/4885FLT3 29/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KIT 394/4885FLT1 337/4885FLT3 29/4885

“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.