SCHEMBL21451348

SCHEMBL21451348

N=Cc1cc(Nc2ccnc(-c3cccc(C(=O)NC4CCNCC4)c3)n2)ccc1N

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 14/20 0.67
▸ ROCK1 Q13464 11/20 0.67
▸ MAPK8 P45983 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ CCNE1 P24864 2/20 0.41
▸ CDK2 P24941 2/20 0.41

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
SCHEMBL24464193 0.90 ROCK2 (0.66) ROCK2ROCK1CCNE1CDK2
SCHEMBL24464148 0.89 ROCK2 (0.53) ROCK2ROCK1CCNE1CDK2
SCHEMBL17038115 0.89 ROCK2 (0.67) ROCK2ROCK1CCNE1CDK2
SCHEMBL24464173 0.84 NPC1 (0.50) ROCK2ROCK1CYP1A2
SCHEMBL24464163 0.84 ROCK2 (0.53) ROCK2ROCK1CCNE1CDK2
SCHEMBL20661284 0.82 ROCK2 (0.71) ROCK2ROCK1CYP1A2TDP1
SCHEMBL24862335 0.81 KDR (0.44) ROCK2ROCK1CYP1A2
SCHEMBL24464182 0.81 CYP1A2 (0.48) ROCK2ROCK1CYP1A2TDP1
SCHEMBL24353609 0.80 ROCK2 (0.47) ROCK2ROCK1CYP1A2TDP1
SCHEMBL17040778 0.80 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-20220395501-A1 TREATMENT OF GVHD KADMON CORP LLC (US) 2022-12-15 — — US disclosed
US-10696660-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2020-06-30 — — US disclosed
US-20190308953-A1 RHO KINASE INHIBITORS KADMON CORPORATION LLC 2019-10-10 — — 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 (3 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-10696660-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885MAPK8 344/4885
US-20220395501-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOXF2 ROCK2 1/4885ROCK1 2/4885MAPK8 2924/4885
US-20190308953-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885MAPK8 344/4885

“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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