SCHEMBL5837584

SCHEMBL5837584

CO[C@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5[nH]c(C)cc5c4)c3s2)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.51
FLT1 P17948 6/20 0.51
MET P08581 3/20 0.44
SCN9A Q15858 2/20 0.41
ADORA2A P29274 4/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2B P29275 2/20 0.39
HRH3 Q9Y5N1 2/20 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
SCHEMBL5837590 1.00 KDR (0.51) KDRFLT1METSCN9AADORA2A
SCHEMBL5838484 1.00 KDR (0.51) KDRFLT1METSCN9AADORA2A
SCHEMBL6747147 0.91 KDR (0.54) KDRFLT1METHRH3
SCHEMBL5839374 0.89 KDR (0.46) KDRFLT1METSCN9A
SCHEMBL5838954 0.89 KDR (0.46) KDRFLT1METSCN9A
SCHEMBL5838689 0.89 KDR (0.46) KDRFLT1METSCN9A
SCHEMBL5838964 0.89 KDR (0.46) KDRFLT1METSCN9A
SCHEMBL5771691 0.85 KDR (0.50) KDRFLT1METSCN9AADORA2A
SCHEMBL5771679 0.85 KDR (0.50) KDRFLT1METSCN9AADORA2A
SCHEMBL6752148 0.84 KDR (0.49) KDRFLT1METADORA2AADORA3

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-6995171-B2 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents AGOURON PHARMACEUTICALS, INC. (US) 2006-02-07 US claimed
US-20040171590-A1 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents AUTRY CHRISTOPHER (US) 2004-09-02 US claimed
WO-2003000194-A2 THIENOPYRIDINE AND THIENOPYRIMIDINE ANTICANCER AGENTS PFIZER INC. (US) 2003-01-03 WO claimed
US-6995171-B2 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents AGOURON PHARMACEUTICALS, INC. (US) 2006-02-07 US disclosed
US-6833456-B2 Heterocyclic sulfides such as 5-(2-(2R-Hydroxymethyl-pyrrolidine-1-carbonyl)-thieno(3,2-b)pyridin-7 -ylamino)-2-methyl-indole-1-carboxylic acid methylamide, used as angiogenesis inhibitors AGOURON PHARMACEUTICALS, INC. 2004-12-21 US disclosed
US-20040171590-A1 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents AUTRY CHRISTOPHER (US) 2004-09-02 US disclosed
US-20040019065-A1 Indolyl-urea derivatives of thienopyridines useful as antiangiogenic agents, and methods for their use ROMINES WILLIAM HENRY (US) 2004-01-29 US disclosed
WO-2003000194-A2 THIENOPYRIDINE AND THIENOPYRIMIDINE ANTICANCER AGENTS PFIZER INC. (US) 2003-01-03 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 (2 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-20040171590-A1 Bicyclic pyrimidine and pyrimidine derivatives useful as anticancer agents TK1, TYMP, DPYD KDR 1886/4885FLT1 606/4885MET 3998/4885
US-20040019065-A1 Indolyl-urea derivatives of thienopyridines useful as antiangiogenic agents, and methods for their use CDKN1A, CCNA1, TYMP KDR 62/4885FLT1 12/4885MET 2583/4885

“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.