SCHEMBL20181641

SCHEMBL20181641

C[C@@H](NC(=O)c1cc2ccc(-c3cn[nH]c3)nc2s1)c1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.55
ROCK1 Q13464 15/20 0.55

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
SCHEMBL21376352 0.88 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL20181388 0.88 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL18254788 0.80 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL20181637 0.78 ROCK1 (0.69) ROCK2ROCK1
SCHEMBL21376141 0.78 ROCK1 (0.69) ROCK2ROCK1
SCHEMBL20168523 0.75 ROCK1 (0.61) ROCK2ROCK1
SCHEMBL20181639 0.74 ROCK2 (0.74) ROCK2ROCK1
SCHEMBL18254797 0.74 ROCK1 (0.68) ROCK2ROCK1
SCHEMBL20168369 0.73 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL18254786 0.71 ROCK2 (1.00) ROCK2ROCK1

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-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
WO-2018094362-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2018-05-24 WO 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 ROCK2 76/4885ROCK1 67/4885
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 ROCK2 76/4885ROCK1 67/4885

“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.