SCHEMBL4473068

SCHEMBL4473068

Cc1cccc(NC(=O)Nc2ccc(-c3c(CN4CCN(C)CC4)sc4ncnc(N)c34)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 1.00
TEK Q02763 16/20 1.00
KIT P10721 14/20 1.00
PLK4 O00444 1/20 0.58
AURKA O14965 1/20 0.58
ROCK2 O75116 1/20 0.58
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
CHEK2 O96017 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
ROS1 P08922 1/20 0.58
PIM1 P11309 1/20 0.58
FGFR1 P11362 1/20 0.58
FLT1 P17948 1/20 0.58
RPS6KB1 P23443 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
SCHEMBL4477046 0.91 KDR (1.00) KDRTEKKITFLT3
SCHEMBL4483987 0.85 KDR (1.00) KDRTEKKIT
SCHEMBL4479965 0.84 KDR (1.00) KDRTEKKIT
SCHEMBL4482375 0.84 KDR (1.00) KDRTEKKITPLK4AURKA
SCHEMBL4476142 0.83 KDR (1.00) KDRTEKKITAURKA
SCHEMBL4481951 0.83 KDR (1.00) KDRTEKKIT
SCHEMBL4471898 0.82 KDR (1.00) KDRTEKKITPLK4AURKA
SCHEMBL4477887 0.82 KDR (1.00) KDRTEKKIT
SCHEMBL4466702 0.82 KDR (1.00) KDRTEKKIT
SCHEMBL4468224 0.82 KDR (1.00) KDRTEKKITAURKA

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.