SCHEMBL21341425

SCHEMBL21341425

CC/N=C(\N)Nc1ccc2[nH]ncc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.58
▸ ROCK1 Q13464 5/20 0.58
▸ POLB P06746 1/20 0.51
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ JAK2 O60674 2/20 0.51
▸ JAK1 P23458 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CNR1 P21554 1/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ DHODH Q02127 1/20 0.49
▸ PRKD3 O94806 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ RPS6KB1 P23443 1/20 0.48
▸ CLK2 P49760 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ PRKG1 Q13976 1/20 0.48
▸ PRKD2 Q9BZL6 1/20 0.48

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
SCHEMBL10310329 0.77 ROCK2 (0.63) ROCK2ROCK1POLBNPC1RAB9A
SCHEMBL5823137 0.77 ROCK2 (0.63) ROCK2ROCK1POLBNPC1RAB9A
SCHEMBL30933139 0.77 ROCK2 (0.72) ROCK2ROCK1POLBNPC1RAB9A
SCHEMBL5225654 0.77 ROCK2 (0.72) ROCK2ROCK1POLBNPC1RAB9A
SCHEMBL12257075 0.76 JAK2 (0.60) ROCK2ROCK1NPC1RAB9AMEN1
SCHEMBL24690138 0.76 ROCK2 (0.62) ROCK2ROCK1POLBNPC1RAB9A
SCHEMBL17776529 0.76 ROCK2 (0.71) ROCK2ROCK1POLBNPC1RAB9A
SCHEMBL27692291 0.76 ROCK2 (0.62) ROCK2ROCK1POLBNPC1RAB9A
SCHEMBL20611859 0.74 ROCK2 (0.64) ROCK2ROCK1POLBNPC1RAB9A
SCHEMBL23075124 0.74 CNR1 (0.69) ROCK2ROCK1POLBNPC1RAB9A

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-11130749-B2 — — 2021-09-28 — — US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 — — 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-11130749-B2 — ROCK1, RHOA, ROCK2 ROCK2 3/4885ROCK1 1/4885POLB 3890/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885POLB 4032/4885

“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.

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