SCHEMBL4477343

SCHEMBL4477343

Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 10/20 0.75
FLT3 P36888 9/20 0.75
FLT1 P17948 7/20 0.75
AURKA O14965 7/20 0.75
ROCK2 O75116 5/20 0.75
MAP4K4 O95819 5/20 0.75
NTRK1 P04629 5/20 0.75
LCK P06239 5/20 0.75
LYN P07948 5/20 0.75
RET P07949 5/20 0.75
FGFR1 P11362 5/20 0.75
RPS6KB1 P23443 5/20 0.75
MARK3 P27448 5/20 0.75
AXL P30530 5/20 0.75
FRK P42685 5/20 0.75
CLK2 P49760 5/20 0.75
BLK P51451 5/20 0.75
IRAK1 P51617 5/20 0.75
RPS6KA3 P51812 5/20 0.75
NEK2 P51955 5/20 0.75

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
SCHEMBL4469648 0.89 KDR (0.78) KITFLT3FLT1AURKAROCK2
SCHEMBL4466205 0.89 KDR (0.77) KITFLT3FLT1AURKAROCK2
SCHEMBL4476878 0.89 KDR (0.77) KITFLT3FLT1AURKAROCK2
SCHEMBL4488706 0.88 KDR (0.75) KITFLT3FLT1AURKAROCK2
SCHEMBL4477423 0.87 KDR (0.78) KITFLT3FLT1AURKAROCK2
SCHEMBL4720107 0.86 MAP4K4 (0.74) KITFLT3FLT1AURKAROCK2
SCHEMBL4466621 0.86 KDR (0.79) KITFLT3FLT1AURKAROCK2
SCHEMBL4474877 0.86 KDR (0.80) KITFLT3FLT1AURKAROCK2
SCHEMBL546436 0.86 KIT (1.00) KITFLT3FLT1AURKAROCK2
SCHEMBL30055372 0.86 KIT (1.00) KITFLT3FLT1AURKAROCK2

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 KIT 394/4885FLT3 29/4885FLT1 337/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 KIT 361/4885FLT3 16/4885FLT1 459/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KIT 394/4885FLT3 29/4885FLT1 337/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KIT 359/4885FLT3 44/4885FLT1 357/4885

“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.