Sugi Predict

Sugi Predict / Compounds / SCHEMBL4478720

SCHEMBL4478720

SCHEMBL4478720

CN(C)c1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 0.76
▸ LCK P06239 9/20 0.76
▸ FLT3 P36888 9/20 0.76
▸ MAP4K4 O95819 8/20 0.76
▸ MAP4K2 Q12851 8/20 0.76
▸ PLK4 O00444 7/20 0.76
▸ MARK3 P27448 7/20 0.76
▸ AXL P30530 7/20 0.76
▸ BLK P51451 7/20 0.76
▸ STK3 Q13188 7/20 0.76
▸ SLK Q9H2G2 7/20 0.76
▸ MKNK2 Q9HBH9 7/20 0.76
▸ CLK2 P49760 7/20 0.76
▸ CLK4 Q9HAZ1 7/20 0.76
▸ MET P08581 7/20 0.76
▸ LIMK1 P53667 6/20 0.76
▸ CSNK1G2 P78368 6/20 0.76
▸ CAMK2G Q13555 6/20 0.76
▸ CAMK2D Q13557 6/20 0.76
▸ MARK2 Q7KZI7 6/20 0.76

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
SCHEMBL4486611 0.86 KDR (1.00) KDRLCKFLT3MAP4K4MAP4K2
SCHEMBL4477490 0.85 KDR (0.81) KDRLCKFLT3MAP4K4MAP4K2
SCHEMBL4471506 0.85 KDR (0.83) KDRLCKFLT3MAP4K4MAP4K2
SCHEMBL4472667 0.84 KIT (1.00) KDRLCKFLT3MAP4K4MAP4K2
SCHEMBL232042 0.82 KDR (1.00) KDRLCKFLT3MAP4K4MAP4K2
SCHEMBL4474361 0.82 KDR (1.00) KDRLCKFLT3MAP4K4MAP4K2
SCHEMBL4470826 0.81 KIT (0.83) KDRLCKFLT3MAP4K4MAP4K2
SCHEMBL4474877 0.81 KDR (0.80) KDRLCKFLT3MAP4K4MAP4K2
SCHEMBL4468073 0.80 KDR (0.82) KDRLCKFLT3MAP4K4MAP4K2
SCHEMBL4477648 0.80 KDR (1.00) KDRLCKFLT3MAP4K4MAP4K2

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 5 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 425/4885LCK 3/4885FLT3 29/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 KDR 391/4885LCK 2/4885FLT3 16/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 425/4885LCK 3/4885FLT3 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.