SCHEMBL20181638

SCHEMBL20181638

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

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.72
ROCK1 Q13464 16/20 0.72
CDC42BPA Q5VT25 3/20 0.58
CYP2C9 P11712 1/20 0.58
MAPK10 P53779 1/20 0.53
HSD17B2 P37059 2/20 0.52

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
SCHEMBL18254789 0.90 ROCK2 (0.66) ROCK2ROCK1CDC42BPACYP2C9MAPK10
SCHEMBL18254786 0.84 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL1648507 0.82 ROCK2 (1.00) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL21376251 0.81 ROCK2 (0.59) ROCK2ROCK1CDC42BPACYP2C9MAPK10
SCHEMBL21909056 0.79 ROCK2 (0.52) ROCK2ROCK1CDC42BPACYP2C9MAPK10
SCHEMBL13457090 0.78 ROCK2 (1.00) ROCK2ROCK1CDC42BPACYP2C9MAPK10
SCHEMBL1649561 0.77 ROCK2 (1.00) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL18254798 0.76 ROCK1 (0.64) ROCK2ROCK1CDC42BPACYP2C9MAPK10
SCHEMBL21376141 0.76 ROCK1 (0.69) ROCK2ROCK1
SCHEMBL20181637 0.76 ROCK1 (0.69) 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 67/4885CDC42BPA 464/4885
US-20190284157-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 ROCK2 76/4885ROCK1 67/4885CDC42BPA 464/4885

“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.