SCHEMBL4475338

SCHEMBL4475338

CCN(CC)CCNC(=O)CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(C)ccc2F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.65
TEK Q02763 15/20 0.60
KIT P10721 13/20 0.60
AURKA O14965 3/20 0.55
FLT1 P17948 3/20 0.55
LCK P06239 2/20 0.55
CSF1R P07333 2/20 0.55
FGFR1 P11362 2/20 0.55
FGFR3 P22607 2/20 0.55
FLT4 P35916 2/20 0.55
FLT3 P36888 2/20 0.55
ROCK2 O75116 1/20 0.55
RPS6KA5 O75582 1/20 0.55
MAP4K4 O95819 1/20 0.55
FYN P06241 1/20 0.55
LYN P07948 1/20 0.55
RET P07949 1/20 0.55
RPS6KB1 P23443 1/20 0.55
EPHA2 P29317 1/20 0.55
AXL P30530 1/20 0.55

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
SCHEMBL4484117 0.92 KDR (0.65) KDRTEKKITAURKAFLT1
SCHEMBL4472851 0.90 KDR (0.65) KDRTEKKITAURKAFLT1
SCHEMBL4472987 0.89 KDR (0.76) KDRTEKKIT
SCHEMBL4467842 0.86 KDR (0.77) KDRTEKKITAURKAFLT1
SCHEMBL4473957 0.86 KDR (0.64) KDRTEKKITAURKAFLT1
SCHEMBL4462722 0.85 KDR (0.78) KDRTEKKITAURKAFLT1
SCHEMBL4483101 0.85 KDR (0.80) KDRTEKKITAURKAFLT1
SCHEMBL4487179 0.84 KDR (0.72) KDRTEKKITAURKAFLT1
SCHEMBL4477691 0.82 KDR (0.51) KDRTEKKITAURKAFLT1
SCHEMBL4474093 0.80 KDR (1.00) KDRTEKKITAURKAFLT1

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 425/4885TEK 328/4885KIT 394/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 KDR 391/4885TEK 324/4885KIT 361/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 425/4885TEK 328/4885KIT 394/4885

“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.