SCHEMBL10201953

SCHEMBL10201953

CCc1c(NCC(NC(=O)Nc2cccc(C(=O)OC)c2)C(=O)O)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 9/20 0.49
ITGB6 P18564 9/20 0.49
ITGB3 P05106 1/20 0.49
ITGB1 P05556 1/20 0.49
ITGA5 P08648 1/20 0.49
ITGB5 P18084 1/20 0.49
ITGB8 P26012 1/20 0.49
LIMK2 P53671 9/20 0.36
LIMK1 P53667 8/20 0.36
ROCK2 O75116 5/20 0.35
PRKACA P17612 5/20 0.35
PRKACG P22612 5/20 0.35
PRKACB P22694 5/20 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
SCHEMBL13003788 1.00 ITGAV (0.49) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328187 0.91 ITGAV (0.48) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328007 0.91 ITGAV (0.48) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328202 0.89 ITGAV (0.51) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL277171 0.86 ITGB3 (0.47) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL327985 0.86 ITGAV (0.52) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328079 0.84 ITGAV (0.43) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328084 0.84 ITGAV (0.43) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL275846 0.84 ITGAV (0.54) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL13003793 0.84 ITGAV (0.50) ITGAVITGB6ITGB3ITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115883-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONISTS OF THE VITRONECTIN RECEPTOR GALAPAGOS SAS 2012-05-10 US disclosed
US-8133896-B2 Pyrimidine derivatives which are antagonist of the vitronectin receptor GALAPAGOS NV (BE) 2012-03-13 US disclosed
US-20110039867-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONIST OF THE VITRONECTIN RECEPTOR GALAPAGOS SAS 2011-02-17 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 (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-20110039867-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONIST OF THE VITRONECTIN RECEPTOR P2RY1, P2RY2, P2RX5 ITGAV 492/4885ITGB6 376/4885ITGB3 273/4885
US-20120115883-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONISTS OF THE VITRONECTIN RECEPTOR P2RY1, P2RY2, P2RX5 ITGAV 455/4885ITGB6 335/4885ITGB3 248/4885

“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.