SCHEMBL12006136

SCHEMBL12006136

CCC(NC(=O)c1nc(CC2CCN(c3ccc(-c4ccc(C(C)=O)cc4)cc3)CC2)nc(C)c1OCc1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.39
ITGAV P06756 13/20 0.39
ITGB1 P05556 10/20 0.39
ITGA5 P08648 10/20 0.39
ITGB5 P18084 10/20 0.39
ITGA2B P08514 7/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CHRM4 P08173 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL12005388 0.92 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL1774381 0.92 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL12005996 0.91 ITGB3 (0.38) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL1772869 0.90 ITGB3 (0.43) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL1772333 0.90 ITGB3 (0.40) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL1773089 0.89 ITGB3 (0.40) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL1773581 0.88 ITGB3 (0.40) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL1774102 0.88 ITGB3 (0.40) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL12006401 0.88 ITGB3 (0.37) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL12006109 0.87 ITGB3 (0.36) ITGB3ITGAVITGB1ITGA5ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785462-B2 5-hydroxypyrimidine-4-carboxamide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-20120220609-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 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-20120220609-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE EPOR, EGLN2, EGLN1 ITGB3 4004/4885ITGAV 3860/4885ITGB1 3461/4885

“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.