SCHEMBL25754323

SCHEMBL25754323

COC(=O)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)c1cc(-n2cccn2)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.34
ITGB1 P05556 6/20 0.34
ITGAV P06756 6/20 0.34
ITGA5 P08648 6/20 0.34
ITGB5 P18084 6/20 0.34
ITGB6 P18564 6/20 0.34
ITGB8 P26012 6/20 0.34
ITGA8 P53708 6/20 0.34
AURKB Q96GD4 1/20 0.34
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
CNR1 P21554 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
RORC P51449 1/20 0.31
DGAT1 O75907 2/20 0.31
PCSK9 Q8NBP7 1/20 0.31
SLC6A9 P48067 1/20 0.31
PTPRB P23467 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL30388833 1.00 ITGB3 (0.34) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL25290611 0.92 ITGAV (0.41) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24037076 0.87 ITGB3 (0.33) ITGB3ITGAVITGB5ITGB6GPR119
SCHEMBL24036830 0.86 GFER (0.38) ITGB3ITGAVITGB5ITGB6PCSK9
SCHEMBL24036583 0.85 CNR1 (0.37) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL25624224 0.85 ITGB3 (0.39) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24036907 0.81 ITGB3 (0.37) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24036910 0.81 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24036908 0.81 MAPT (0.38) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24036909 0.80 ITGB3 (0.37) ITGB3ITGB1ITGAVITGA5ITGB5

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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 ITGB3 4177/4885ITGB1 4421/4885ITGAV 4406/4885

“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.