SCHEMBL13430535

SCHEMBL13430535

CC(=O)c1nc(-c2ccc(C[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)NC(=O)OC(C)(C)C)cc2)cn1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
CTSS P25774 4/20 0.40
CTSK P43235 3/20 0.40
PTPRB P23467 1/20 0.37
ITGA4 P13612 2/20 0.36
ITGB7 P26010 2/20 0.36
AKT1 P31749 1/20 0.36
CTSB P07858 2/20 0.35
CTSL P07711 1/20 0.35
APP P05067 3/20 0.35
BCL2 P10415 1/20 0.35
ACE P12821 1/20 0.35
PTPN1 P18031 2/20 0.34
SCN9A Q15858 1/20 0.34
CCKAR P32238 1/20 0.34
CCKBR P32239 1/20 0.34
CYP3A4 P08684 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
SCHEMBL2617425 1.00 ATM (0.40) ATMCTSSCTSKPTPRBITGA4
SCHEMBL2617420 0.94 ATM (0.41) ATMCTSSCTSKPTPRBITGA4
SCHEMBL2617392 0.91 ADORA1 (0.38) ATMCTSSCTSKPTPRBITGA4
SCHEMBL2617421 0.91 ADORA1 (0.38) ATMCTSSCTSKPTPRBITGA4
SCHEMBL2617422 0.90 ATM (0.38) ATMCTSSCTSKPTPRBITGA4
SCHEMBL13627141 0.88 ATM (0.42) ATMCTSSCTSKPTPRBITGA4
SCHEMBL13643247 0.85 PPARG (0.34) SCN9ACYP3A4
SCHEMBL2617436 0.85 ATM (0.37) ATMCTSSCTSKPTPRBITGA4
SCHEMBL13163317 0.85 ATM (0.37) ATMCTSSCTSKPTPRBITGA4
SCHEMBL2631766 0.84 ATM (0.40) ATMCTSSCTSKPTPRBITGA4

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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 ATM 1110/4885CTSS 1766/4885CTSK 1842/4885

“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.