SCHEMBL23380752

SCHEMBL23380752

C=NNc1ccc(Nc2ccnc(-c3cccc(OCC(=O)N4CCOCC4)c3)n2)cc1C

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 11/20 0.66
▸ ROCK1 Q13464 7/20 0.48
▸ KMT2A Q03164 1/20 0.45
▸ FKBP1A P62942 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ EGFR P00533 1/20 0.41
▸ ITK Q08881 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 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
SCHEMBL19592079 0.86 ROCK2 (0.63) ROCK2ROCK1EGFRRAB9A
SCHEMBL19592109 0.82 ROCK2 (0.64) ROCK2ROCK1EGFR
SCHEMBL18792356 0.81 ROCK2 (0.66) ROCK2ROCK1SMN1; SMN2
SCHEMBL17038112 0.79 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL19592087 0.79 ROCK2 (0.68) ROCK2ROCK1FKBP1AMAPTEGFR
SCHEMBL19591992 0.77 ROCK2 (0.64) ROCK2ROCK1EGFR
SCHEMBL18792298 0.73 ROCK2 (0.68) ROCK2ROCK1KMT2ASMN1; SMN2
SCHEMBL19592078 0.73 ROCK2 (0.66) ROCK2ROCK1
SCHEMBL27249103 0.71 ROCK2 (0.57) ROCK2ROCK1NPC1RAB9A
SCHEMBL19592018 0.71 ROCK2 (0.63) ROCK2ROCK1KMT2AMAPTEGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147391-A1 RHO KINASE INHIBITORS KADMON CORPORATION LLC 2021-05-20 — — 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 (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-20210147391-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885KMT2A 2487/4885

“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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