SCHEMBL5076110

SCHEMBL5076110

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

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.86
CHEK1 O14757 2/20 0.55
PDGFRB P09619 4/20 0.51
PDGFRA P16234 4/20 0.51
TNKS O95271 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LYN P07948 1/20 0.42
SRC P12931 1/20 0.42
FLT3 P36888 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL5081964 0.95 KDR (0.81) KDRCHEK1PDGFRBPDGFRALYN
SCHEMBL5141013 0.94 KDR (0.77) KDRCHEK1PDGFRBPDGFRAKDM4E
SCHEMBL5081995 0.93 KDR (1.00) KDRCHEK1PDGFRBPDGFRATNKS
SCHEMBL29460356 0.93 KDR (1.00) KDRCHEK1PDGFRBPDGFRATNKS
SCHEMBL5078793 0.92 KDR (0.75) KDRCHEK1PDGFRBPDGFRAKDM4E
SCHEMBL5081988 0.92 KDR (0.77) KDRCHEK1PDGFRBPDGFRAKDM4E
SCHEMBL5079376 0.90 KDR (0.74) KDRCHEK1PDGFRBPDGFRALYN
SCHEMBL5078715 0.89 KDR (0.72) KDRCHEK1PDGFRBPDGFRAKDM4E
SCHEMBL5082008 0.89 KDR (0.72) KDRCHEK1PDGFRBPDGFRAKDM4E
SCHEMBL5078729 0.89 KDR (0.72) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 US claimed
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-20050096344-A1 Tyrosine kinase inhibitors FRALEY MARK E (US) 2005-05-05 US disclosed
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 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-20050096344-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CHEK1 499/4885PDGFRB 88/4885
US-20020041880-A1 Method of treating cancer ACP3, FOLH1, KLK3 KDR 318/4885CHEK1 3711/4885PDGFRB 421/4885
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.