Sugi Predict

Sugi Predict / Compounds / SCHEMBL4486582

SCHEMBL4486582

SCHEMBL4486582

CCc1cccc(NC(=O)Nc2ccc(-c3c(Cc4ccc(N(C)C)cc4)sc4ncnc(N)c34)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 19/20 0.71
▸ TEK Q02763 14/20 0.71
▸ KIT P10721 13/20 0.67
▸ AURKA O14965 2/20 0.59
▸ DYRK3 O43781 1/20 0.58
▸ ROCK2 O75116 1/20 0.58
▸ PRKD3 O94806 1/20 0.58
▸ MAP4K4 O95819 1/20 0.58
▸ NTRK1 P04629 1/20 0.58
▸ LCK P06239 1/20 0.58
▸ LYN P07948 1/20 0.58
▸ RET P07949 1/20 0.58
▸ FGFR1 P11362 1/20 0.58
▸ PHKG2 P15735 1/20 0.58
▸ FER P16591 1/20 0.58
▸ FLT1 P17948 1/20 0.58
▸ RPS6KB1 P23443 1/20 0.58
▸ CDK2 P24941 1/20 0.58
▸ MARK3 P27448 1/20 0.58
▸ EPHA2 P29317 1/20 0.58

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
SCHEMBL4470745 0.91 KDR (0.83) KDRTEKKITAURKA
SCHEMBL4483025 0.90 KDR (0.71) KDRTEKKITAURKA
SCHEMBL4474420 0.90 KDR (0.71) KDRTEKKITAURKA
SCHEMBL4466618 0.88 KDR (0.66) KDRTEKKITAURKA
SCHEMBL4486490 0.88 KDR (0.77) KDRTEKKITAURKALCK
SCHEMBL4471550 0.87 KDR (0.81) KDRTEKKITAURKADYRK3
SCHEMBL4479927 0.87 KDR (0.70) KDRTEKKITAURKADYRK3
SCHEMBL4477093 0.87 KDR (0.82) KDRTEKKITAURKADYRK3
SCHEMBL4476466 0.86 KDR (0.72) KDRTEKKITAURKADYRK3
SCHEMBL4480379 0.86 KDR (0.85) KDRTEKKITAURKADYRK3

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.