SCHEMBL1773152

SCHEMBL1773152

CCC(NC(=O)c1nc(CC2CCN(c3ccc(C(C)(C)C)cc3)CC2)nc(C(F)F)c1OCc1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.39
ITGAV P06756 10/20 0.39
ITGB1 P05556 8/20 0.39
ITGA5 P08648 8/20 0.39
ITGB5 P18084 8/20 0.39
ITGA2B P08514 5/20 0.39
YAP1 P46937 1/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CCR3 P51677 1/20 0.34

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
SCHEMBL1774102 0.91 ITGB3 (0.40) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL1773306 0.89 ITGB3 (0.39) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL1773913 0.88 HRH3 (0.39) MAPTHRH3CCR3
SCHEMBL1773300 0.88 ITGB3 (0.36) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL12602291 0.86 CTSS (0.37) MEN1KMT2AHRH3CCR3
SCHEMBL27807798 0.86 CHRM4 (0.34) MAPTGAAMEN1KMT2AHRH3
SCHEMBL1772548 0.86 HRH3 (0.38) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL1774136 0.85 HRH3 (0.37) YAP1HRH3CCR3
SCHEMBL1772452 0.84 POLB (0.40) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL1774381 0.84 ITGB3 (0.41) 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 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 ITGB3 4005/4885ITGAV 4041/4885ITGB1 4142/4885

“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.