SCHEMBL4486611

SCHEMBL4486611

Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 1.00
FLT3 P36888 9/20 1.00
LCK P06239 8/20 1.00
CLK4 Q9HAZ1 8/20 1.00
MAP4K4 O95819 7/20 1.00
CLK2 P49760 7/20 1.00
MAP4K2 Q12851 7/20 1.00
RET P07949 7/20 1.00
FGFR1 P11362 7/20 1.00
FLT1 P17948 7/20 1.00
AXL P30530 7/20 1.00
IRAK1 P51617 6/20 1.00
HIPK4 Q8NE63 6/20 1.00
PLK4 O00444 6/20 1.00
MARK3 P27448 6/20 1.00
BLK P51451 6/20 1.00
LIMK1 P53667 6/20 1.00
CSNK1G2 P78368 6/20 1.00
STK3 Q13188 6/20 1.00
CAMK2G Q13555 6/20 1.00

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
SCHEMBL4472448 0.90 KDR (0.80) KDRFLT3LCKCLK4MAP4K4
SCHEMBL4477490 0.89 KDR (0.81) KDRFLT3LCKCLK4MAP4K4
SCHEMBL4474877 0.89 KDR (0.80) KDRFLT3LCKCLK4MAP4K4
SCHEMBL4477679 0.89 KDR (0.79) KDRFLT3LCKCLK4MAP4K4
SCHEMBL13861829 0.88 KDR (0.79) KDRFLT3LCKCLK4MAP4K4
SCHEMBL4477648 0.88 KDR (1.00) KDRFLT3LCKCLK4MAP4K4
SCHEMBL232042 0.88 KDR (1.00) KDRFLT3LCKCLK4MAP4K4
SCHEMBL4478814 0.88 KDR (0.78) KDRFLT3LCKCLK4MAP4K4
SCHEMBL4477423 0.88 KDR (0.78) KDRFLT3LCKCLK4MAP4K4
SCHEMBL4478720 0.86 KDR (0.76) KDRFLT3LCKCLK4MAP4K4

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 425/4885FLT3 29/4885LCK 3/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 KDR 391/4885FLT3 16/4885LCK 2/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 425/4885FLT3 29/4885LCK 3/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 462/4885FLT3 44/4885LCK 3/4885

“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.