SCHEMBL4474846

SCHEMBL4474846

COc1ccc(-c2cnc3c(C(=O)O)cnn3c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.65
FLT1 P17948 3/20 0.65
FLT4 P35916 3/20 0.65
PLK4 O00444 1/20 0.65
AURKA O14965 1/20 0.65
DYRK3 O43781 1/20 0.65
MAP4K4 O95819 1/20 0.65
NTRK1 P04629 1/20 0.65
INSR P06213 1/20 0.65
CDK1 P06493 1/20 0.65
FGFR1 P11362 1/20 0.65
CDK2 P24941 1/20 0.65
MARK3 P27448 1/20 0.65
FLT3 P36888 1/20 0.65
CLK2 P49760 1/20 0.65
GSK3A P49840 1/20 0.65
GSK3B P49841 1/20 0.65
IRAK1 P51617 1/20 0.65
CSNK2A1 P68400 1/20 0.65
CSNK1G2 P78368 1/20 0.65

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
SCHEMBL4468603 0.90 KDR (0.62) KDRFLT1FLT4PLK4AURKA
SCHEMBL5914348 0.87 PDE2A (0.53) KDRFLT1FLT4PLK4AURKA
SCHEMBL4477194 0.85 PDE2A (0.57) KDRFLT1FLT4PLK4AURKA
SCHEMBL13126019 0.84 KDR (0.76) KDRFLT1FLT4PLK4AURKA
SCHEMBL359148 0.83 HSD11B1 (0.52) KDRFLT1FLT4PLK4AURKA
SCHEMBL30184324 0.83 KDR (0.56) KDRFLT1FLT4PDE2ABMP4
SCHEMBL2810629 0.79 KDR (1.00) KDRFLT1FLT4PLK4AURKA
SCHEMBL4482059 0.79 KDR (0.70) KDRFLT1FLT4PLK4AURKA
SCHEMBL7610618 0.78 KDR (1.00) KDRFLT1FLT4PLK4AURKA
SCHEMBL13126005 0.76 PDE2A (0.51) KDRFLT1FLT4PLK4AURKA

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-7550470-B2 Substituted pyrazolo[1,5-A]pyrimidines as tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US claimed
US-20060025426-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 US claimed
WO-2004052315-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-06-24 WO claimed
US-7550470-B2 Substituted pyrazolo[1,5-A]pyrimidines as tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-7550470-B2 Substituted pyrazolo[1,5-A]pyrimidines as tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-7550470-B2 Substituted pyrazolo[1,5-A]pyrimidines as tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-20060025426-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 US disclosed
WO-2004052315-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-06-24 WO 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 (1 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-20060025426-A1 Tyrosine kinase inhibitors FLT1, FLT4, KDR KDR 3/4885FLT1 1/4885FLT4 2/4885

“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.