Sugi Predict

Sugi Predict / Compounds / SCHEMBL4468073

SCHEMBL4468073

SCHEMBL4468073

Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 19/20 0.82
▸ TEK Q02763 16/20 0.82
▸ KIT P10721 15/20 0.82
▸ AURKA O14965 2/20 0.77
▸ PLK4 O00444 1/20 0.77
▸ PDPK1 O15530 1/20 0.77
▸ DAPK3 O43293 1/20 0.77
▸ DYRK3 O43781 1/20 0.77
▸ ROCK2 O75116 1/20 0.77
▸ MAP4K4 O95819 1/20 0.77
▸ ABL1 P00519 1/20 0.77
▸ NTRK1 P04629 1/20 0.77
▸ LCK P06239 1/20 0.77
▸ FYN P06241 1/20 0.77
▸ CDK1 P06493 1/20 0.77
▸ FES P07332 1/20 0.77
▸ CSF1R P07333 1/20 0.77
▸ LYN P07948 1/20 0.77
▸ RET P07949 1/20 0.77
▸ FGFR1 P11362 1/20 0.77

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
SCHEMBL4487941 0.90 KDR (1.00) KDRTEKKITAURKAPLK4
SCHEMBL4472470 0.89 KDR (1.00) KDRTEKKITAURKAPLK4
SCHEMBL4477121 0.88 KDR (1.00) KDRTEKKITAURKAPLK4
SCHEMBL4474667 0.88 KDR (1.00) KDRTEKKITAURKAPLK4
SCHEMBL4467083 0.88 KDR (1.00) KDRTEKKITAURKAPLK4
SCHEMBL4476466 0.88 KDR (0.72) KDRTEKKITAURKAPLK4
SCHEMBL4474215 0.87 KDR (1.00) KDRTEKKITAURKAPLK4
SCHEMBL4470588 0.86 KDR (1.00) KDRTEKKITAURKAPLK4
SCHEMBL4477676 0.86 KDR (0.80) KDRTEKKITAURKAPLK4
SCHEMBL4462082 0.86 KDR (1.00) KDRTEKKITAURKAPLK4

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 425/4885TEK 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
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 462/4885TEK 340/4885KIT 359/4885

“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.