SCHEMBL5082008

SCHEMBL5082008

COCCN(CCOc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)Cc1ccncc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.72
CHEK1 O14757 2/20 0.46
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
KCNA5 P22460 4/20 0.43
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
LYN P07948 1/20 0.40
SRC P12931 1/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5081988 0.93 KDR (0.77) KDRCHEK1PDGFRBPDGFRAKDM4E
SCHEMBL5078014 0.91 KDR (0.69) KDRCHEK1PDGFRBPDGFRAKCNA5
SCHEMBL5079459 0.90 KDR (0.71) KDRCHEK1PDGFRBPDGFRAKCNA5
SCHEMBL5078729 0.89 KDR (0.72) KDRCHEK1PDGFRBPDGFRAKDM4E
SCHEMBL5076110 0.89 KDR (0.86) KDRCHEK1PDGFRBPDGFRAKDM4E
SCHEMBL5082016 0.89 KDR (0.71) KDRCHEK1PDGFRBPDGFRAKDM4E
SCHEMBL5081966 0.88 KDR (0.70) KDRCHEK1PDGFRBPDGFRAKDM4E
SCHEMBL5078816 0.88 KDR (0.70) KDRCHEK1PDGFRBPDGFRAKDM4E
SCHEMBL5078715 0.88 KDR (0.72) KDRCHEK1PDGFRBPDGFRAKCNA5
SCHEMBL5082530 0.87 KDR (0.69) KDRCHEK1PDGFRBPDGFRAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-6794393-B1 inhibitors of VEGF; angiogenesis, cancer, tumor growth, atherosclerosis, age related macular degeneration, diabetic retinopathy, inflammatory diseases; 1H-indole compounds having a fused nitrogen heterocycle amide in the 2-position MERCK & CO., INC. 2004-09-21 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 (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-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885PDGFRB 88/4885

“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.