SCHEMBL4469276

SCHEMBL4469276

COc1ccc(-c2cnc3c(-c4cncc(C(=O)NC5CC5)c4)cnn3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.57
FLT1 P17948 3/20 0.55
FLT4 P35916 3/20 0.55
BMP4 P12644 3/20 0.55
BMPR1B O00238 2/20 0.51
BMPR1A P36894 2/20 0.51
ACVRL1 P37023 2/20 0.51
TGFBR2 P37173 2/20 0.51
ACVR1 Q04771 2/20 0.51
PRKAB1 Q9Y478 2/20 0.51
BMPR2 Q13873 1/20 0.51
KMT2A Q03164 1/20 0.48
RIPK2 O43353 2/20 0.46
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
DYRK3 O43781 1/20 0.46
MAP4K4 O95819 1/20 0.46
NTRK1 P04629 1/20 0.46
INSR P06213 1/20 0.46
CDK1 P06493 1/20 0.46

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
SCHEMBL4474545 0.88 KDR (0.55) KDRFLT1FLT4BMP4MARK3
SCHEMBL4477345 0.88 KDR (0.62) KDRFLT1FLT4BMP4BMPR1B
SCHEMBL4477974 0.85 KDR (0.57) KDRFLT1FLT4BMP4BMPR1B
SCHEMBL4479049 0.85 KDR (0.59) KDRFLT1FLT4BMP4BMPR1B
SCHEMBL4465890 0.80 KDR (0.60) KDRFLT1FLT4BMP4BMPR1B
SCHEMBL4475017 0.78 KDR (0.61) KDRFLT1FLT4BMP4BMPR1B
SCHEMBL3762618 0.77 CCNC (0.58) KDRPRKAB1RIPK2NTRK1CDK2
SCHEMBL4466233 0.76 KDR (0.56) KDRFLT1FLT4BMP4KMT2A
SCHEMBL4479183 0.76 KDR (0.58) KDRFLT1FLT4BMP4KMT2A
SCHEMBL13126019 0.75 KDR (0.76) KDRFLT1FLT4BMP4BMPR1B

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.