SCHEMBL10156368

SCHEMBL10156368

C[C@H](CN/C(N)=N\C#N)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.47
ICAM1 P05362 20/20 0.47
ITGAL P20701 20/20 0.47

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
SCHEMBL12060483 0.94 ITGB2 (0.41) ITGB2ICAM1ITGAL
SCHEMBL12749849 0.94 ITGB2 (0.41) ITGB2ICAM1ITGAL
SCHEMBL10157533 0.92 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL12652125 0.91 ITGB2 (0.45) ITGB2ICAM1ITGAL
SCHEMBL13185676 0.86 ITGB2 (0.39) ITGB2ICAM1ITGAL
SCHEMBL10156902 0.86 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL13185697 0.83 ITGB2 (0.56) ITGB2ICAM1ITGAL
SCHEMBL12060776 0.82 ITGB2 (0.54) ITGB2ICAM1ITGAL
SCHEMBL10155788 0.82 ITGB2 (0.54) ITGB2ICAM1ITGAL
SCHEMBL10156523 0.82 ITGB2 (0.54) ITGB2ICAM1ITGAL

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-20120035154-A1 Modulators of Cellular Adhesion SARcode Bioscience, Inc. (US) 2012-02-09 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-20120035154-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 ITGB2 8/4885ICAM1 5/4885ITGAL 11/4885

“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.