SCHEMBL1773530

SCHEMBL1773530

CCC(NC(=O)c1nc(CC2CCN(c3ccc(Cl)cc3)CC2)nc(C)c1O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.41
CCR1 P32246 2/20 0.40
ITGB3 P05106 10/20 0.38
ITGB1 P05556 10/20 0.38
ITGAV P06756 10/20 0.38
ITGA5 P08648 10/20 0.38
ITGB5 P18084 10/20 0.38
ITGA2B P08514 7/20 0.38
DEGS1 O15121 1/20 0.38
ITGA4 P13612 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL1772612 0.92 EGLN1 (0.46) EGLN1ITGB3ITGB1ITGAVITGA5
SCHEMBL1772962 0.90 EGLN1 (0.39) EGLN1CCR1ITGB3ITGB1ITGAV
SCHEMBL1773172 0.90 EGLN1 (0.43) EGLN1ITGB3ITGB1ITGAVITGA5
SCHEMBL1773761 0.90 EGLN1 (0.42) EGLN1ITGB3ITGB1ITGAVITGA5
SCHEMBL1773441 0.89 EGLN1 (0.50) EGLN1ITGB3ITGB1ITGAVITGA5
SCHEMBL12005323 0.88 EGLN1 (0.47) EGLN1ITGB3ITGB1ITGAVITGA5
SCHEMBL12006114 0.88 EGLN1 (0.45) EGLN1ITGB3ITGB1ITGAVITGA5
SCHEMBL1772728 0.87 EGLN1 (0.43) EGLN1CCR1
SCHEMBL1773165 0.85 EGLN1 (0.43) EGLN1ITGB3ITGB1ITGAVITGA5
SCHEMBL1772333 0.85 ITGB3 (0.40) CCR1ITGB3ITGB1ITGAVITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 EGLN1 16/4885CCR1 103/4885ITGB3 4005/4885

“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.