Sugi Predict

Sugi Predict / Compounds / SCHEMBL4469648

SCHEMBL4469648

SCHEMBL4469648

Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)c12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.78
▸ KIT P10721 11/20 0.78
▸ FLT3 P36888 9/20 0.78
▸ FLT1 P17948 9/20 0.71
▸ AURKA O14965 7/20 0.71
▸ LCK P06239 6/20 0.71
▸ LYN P07948 6/20 0.71
▸ BLK P51451 6/20 0.71
▸ ABL1 P00519 5/20 0.71
▸ FYN P06241 5/20 0.71
▸ CSF1R P07333 5/20 0.71
▸ ROCK2 O75116 5/20 0.71
▸ MAP4K4 O95819 5/20 0.71
▸ NTRK1 P04629 5/20 0.71
▸ RET P07949 5/20 0.71
▸ FGFR1 P11362 5/20 0.71
▸ RPS6KB1 P23443 5/20 0.71
▸ MARK3 P27448 5/20 0.71
▸ AXL P30530 5/20 0.71
▸ FRK P42685 5/20 0.71

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
SCHEMBL4476878 0.91 KDR (0.77) KDRKITFLT3FLT1AURKA
SCHEMBL4477343 0.89 KIT (0.75) KDRKITFLT3FLT1AURKA
SCHEMBL4473254 0.89 KIT (0.83) KDRKITFLT3FLT1AURKA
SCHEMBL4466621 0.88 KDR (0.79) KDRKITFLT3FLT1AURKA
SCHEMBL6092809 0.88 KDR (1.00) KDRKITFLT3FLT1AURKA
SCHEMBL3528941 0.86 KDR (0.65) KDRKITFLT3FLT1AURKA
SCHEMBL4466205 0.86 KDR (0.77) KDRKITFLT3FLT1AURKA
SCHEMBL30055372 0.83 KIT (1.00) KDRKITFLT3FLT1AURKA
SCHEMBL546436 0.83 KIT (1.00) KDRKITFLT3FLT1AURKA
SCHEMBL4476167 0.83 KDR (0.81) KDRKITFLT3FLT1AURKA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 — — US claimed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 — — US claimed
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-12-04 — — 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

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 425/4885KIT 394/4885FLT3 29/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 KDR 391/4885KIT 361/4885FLT3 16/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 425/4885KIT 394/4885FLT3 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.