Sugi Predict

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SCHEMBL4477053

SCHEMBL4477053

Nc1ncnc2sc(Br)c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 17/20 0.80
▸ TEK Q02763 12/20 0.80
▸ KIT P10721 10/20 0.80
▸ FLT1 P17948 5/20 0.68
▸ AURKA O14965 4/20 0.65
▸ AURKB Q96GD4 4/20 0.65
▸ CDK19 Q9BWU1 1/20 0.64
▸ LCK P06239 3/20 0.61
▸ FGFR1 P11362 3/20 0.61
▸ FLT4 P35916 3/20 0.61
▸ FLT3 P36888 3/20 0.61
▸ CSF1R P07333 2/20 0.61
▸ PDGFRB P09619 1/20 0.61
▸ PDGFRA P16234 1/20 0.61
▸ FGFR2 P21802 1/20 0.61
▸ FGFR4 P22455 1/20 0.61
▸ FGFR3 P22607 1/20 0.61
▸ DYRK3 O43781 2/20 0.61
▸ MAP4K4 O95819 2/20 0.61
▸ LYN P07948 2/20 0.61

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
SCHEMBL4470265 0.89 KDR (1.00) KDRTEKKITFLT1AURKA
SCHEMBL4473352 0.88 KDR (0.79) KDRTEKKITFLT1AURKA
SCHEMBL4466025 0.88 KDR (0.82) KDRTEKKITFLT1AURKA
SCHEMBL6091024 0.86 KDR (0.76) KDRTEKKITFLT1AURKA
SCHEMBL6092489 0.86 KDR (0.81) KDRTEKKITFLT1AURKA
SCHEMBL4478284 0.86 KDR (1.00) KDRTEKKITFLT1AURKA
SCHEMBL4470132 0.86 KDR (0.82) KDRTEKKITFLT1AURKA
SCHEMBL4471326 0.86 KDR (0.82) KDRTEKKITFLT1AURKA
SCHEMBL4468059 0.86 KDR (0.79) KDRTEKKITFLT1AURKA
SCHEMBL4476543 0.85 KDR (0.61) KDRTEKKITFLT1AURKA

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.