SCHEMBL2103672

SCHEMBL2103672

CON(C)C(=O)c1nc(-c2ccc(C[C@@H](CC(C(=O)O)C(C)(C)C)NC(=O)OC(C)(C)C)cc2)cn1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
ATM Q13315 1/20 0.37
APP P05067 4/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
PTPRB P23467 2/20 0.34
ACE P12821 1/20 0.33
CYP3A4 P08684 5/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
PTPN1 P18031 1/20 0.32
JAK3 P52333 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL3222983 0.88 ATM (0.39) ITGA4ITGB7ATMAPPCTSS
SCHEMBL2617430 0.88 ITGA4 (0.39) ITGA4ITGB7ATMAPPCTSS
SCHEMBL10215115 0.88 ITGA4 (0.39) ITGA4ITGB7ATMAPPCTSS
SCHEMBL13162785 0.86 MEN1 (0.37) ITGA4ITGB7ATMCTSSCTSK
SCHEMBL2103666 0.86 MEN1 (0.37) ITGA4ITGB7ATMCTSSCTSK
SCHEMBL2631416 0.83 ATM (0.38) ITGA4ITGB7ATMAPPCTSS
SCHEMBL4794108 0.82 ITGA4 (0.34) ITGA4ITGB7ATMAPPCTSS
SCHEMBL2617422 0.82 ATM (0.38) ITGA4ITGB7ATMAPPCTSS
SCHEMBL2617428 0.78 ATM (0.43) ITGA4ITGB7ATMAPPCTSS
SCHEMBL10215114 0.78 ATM (0.43) ITGA4ITGB7ATMAPPCTSS

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-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 US disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 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-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ITGA4 4137/4885ITGB7 4209/4885ATM 1110/4885

“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.