SCHEMBL24464182

SCHEMBL24464182

N=Cc1cc(Nc2ccnc(-c3cccc(OC4CCNCC4)c3)n2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ROCK2 O75116 14/20 0.46
▸ ROCK1 Q13464 9/20 0.46
▸ SYK P43405 2/20 0.41
▸ ACVR1 Q04771 1/20 0.39

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
SCHEMBL19592088 0.95 ROCK2 (0.48) CYP1A2TDP1ROCK2ROCK1SYK
SCHEMBL24353609 0.89 ROCK2 (0.47) CYP1A2TDP1ROCK2ROCK1
SCHEMBL24464185 0.83 ROCK2 (0.47) CYP1A2TDP1ROCK2ROCK1
SCHEMBL24862317 0.81 ROCK2 (0.45) CYP1A2TDP1ROCK2ROCK1
SCHEMBL21451348 0.81 ROCK2 (0.67) CYP1A2TDP1ROCK2ROCK1
SCHEMBL20661284 0.81 ROCK2 (0.71) CYP1A2TDP1ROCK2ROCK1
SCHEMBL24862643 0.80 ROCK2 (0.57) CYP1A2TDP1ROCK2ROCK1SYK
SCHEMBL15638576 0.80 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL24862299 0.79 ROCK2 (0.48) CYP1A2TDP1ROCK2ROCK1
SCHEMBL19592089 0.78 ROCK2 (0.46) CYP1A2TDP1ROCK2ROCK1

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-20220395501-A1 TREATMENT OF GVHD KADMON CORP LLC (US) 2022-12-15 — — US disclosed
EP-2903618-B1 RHO KINASE INHIBITORS KADMON CORP LLC (US) 2022-06-01 — — EP 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 (1 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-20220395501-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOXF2 CYP1A2 119/4885TDP1 3067/4885ROCK2 1/4885

“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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