SCHEMBL21376141

SCHEMBL21376141

COc1cccc(C(CO)NC(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 20/20 0.69
ROCK2 O75116 19/20 0.69

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
SCHEMBL20181637 1.00 ROCK1 (0.69) ROCK1ROCK2
SCHEMBL20181388 0.90 ROCK2 (0.70) ROCK1ROCK2
SCHEMBL21376352 0.90 ROCK2 (0.70) ROCK1ROCK2
SCHEMBL18254793 0.87 ROCK1 (0.67) ROCK1ROCK2
SCHEMBL21376095 0.82 ROCK2 (0.53) ROCK1ROCK2
SCHEMBL18254786 0.81 ROCK2 (1.00) ROCK1ROCK2
SCHEMBL20181641 0.78 ROCK2 (0.55) ROCK1ROCK2
SCHEMBL21507521 0.77 ROCK1 (0.59) ROCK1ROCK2
SCHEMBL20181638 0.76 ROCK2 (0.72) ROCK1ROCK2
SCHEMBL18254797 0.76 ROCK1 (0.68) ROCK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807966-B2 Heterocyclic compounds as kinase inhibitors TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2020-10-20 US disclosed
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC 2019-09-19 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-10807966-B2 Heterocyclic compounds as kinase inhibitors MAP3K1, MAP3K20, MAP3K5 ROCK1 67/4885ROCK2 76/4885
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 ROCK1 67/4885ROCK2 76/4885

“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.