SCHEMBL35210560

SCHEMBL35210560

CNC(=O)c1cn(C(C)C)c2cc(B3OC(C)(C)C(C)(C)O3)cc(F)c12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.34
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
GAA P10253 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
SCHEMBL35210968 0.87 ROCK1 (0.34) ROCK1CA1CA2CA9
SCHEMBL35211188 0.77 MAP2K1 (0.39) GAA
SCHEMBL15594472 0.73 ROCK1 (0.46) ROCK1CA1CA2CA9GAA
SCHEMBL35210583 0.73 NR4A2 (0.39) ROCK1GAA
SCHEMBL22160387 0.71 GAA (0.45) ROCK1CA1CA2CA9GAA
SCHEMBL30633668 0.70 CSF1R (0.35) ROCK1CA1CA2CA9
SCHEMBL1622731 0.70 NR4A2 (0.38) CA1CA2CA9GAA
SCHEMBL12476761 0.69 CA1 (0.41) CA1CA2CA9
SCHEMBL28645604 0.69 LPL (0.37) ROCK1CA1CA2CA9
SCHEMBL35211173 0.69 ROCK1 (0.33) ROCK1GAA

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-20260125391-A1 PYRIMIDINE INDOLES AS CDK4 INHIBITORS INCYTE CORP (US) 2026-05-07 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-20260125391-A1 PYRIMIDINE INDOLES AS CDK4 INHIBITORS CDK4, CCNA1, CCNO ROCK1 1239/4885CA1 3787/4885CA2 3122/4885

“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.