SCHEMBL23429983

SCHEMBL23429983

NC(C(=O)Nc1ccc2[nH]ncc2c1)c1cccc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.64
ROCK1 Q13464 10/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
MAP4K4 O95819 3/20 0.64
DYRK3 O43781 2/20 0.64
RPS6KB1 P23443 2/20 0.64
CLK2 P49760 2/20 0.64
DYRK1A Q13627 2/20 0.64
CLK4 Q9HAZ1 2/20 0.64
MKNK2 Q9HBH9 2/20 0.64
CSNK2A1 P68400 1/20 0.64
MAOB P27338 2/20 0.52
JAK2 O60674 1/20 0.51
PIM1 P11309 2/20 0.49
PRKX P51817 2/20 0.49
CDK5 Q00535 2/20 0.49
AURKB Q96GD4 2/20 0.49
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49

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
SCHEMBL23430082 0.87 NPC1 (0.65) ROCK2ROCK1NPC1RAB9AMAP4K4
SCHEMBL23429984 0.87 ROCK2 (0.64) ROCK2ROCK1NPC1RAB9AMAP4K4
SCHEMBL29099846 0.87 ROCK1 (0.64) ROCK2ROCK1NPC1RAB9AMAP4K4
SCHEMBL1457361 0.87 ROCK2 (0.63) ROCK2ROCK1NPC1RAB9AMAP4K4
SCHEMBL20661217 0.85 ROCK2 (0.65) ROCK2ROCK1NPC1RAB9AMAP4K4
SCHEMBL20661265 0.82 ROCK2 (0.67) ROCK2ROCK1NPC1RAB9AMAP4K4
SCHEMBL23430027 0.81 ROCK2 (0.56) ROCK2ROCK1NPC1RAB9AMAP4K4
SCHEMBL20672744 0.81 ROCK2 (0.65) ROCK2ROCK1NPC1RAB9AMAP4K4
SCHEMBL23430169 0.81 ROCK2 (0.59) ROCK2ROCK1NPC1RAB9AMAP4K4
SCHEMBL15764676 0.78 NPC1 (1.00) ROCK2ROCK1NPC1RAB9AMAP4K4

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-20210163421-A1 INHIBITORS OF RHO ASSOCIATED COILED-COIL CONTAINING PROTEIN KINASE KADMON PHARMACEUTICALS, LLC 2021-06-03 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-20210163421-A1 INHIBITORS OF RHO ASSOCIATED COILED-COIL CONTAINING PROTEIN KINASE ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885NPC1 2291/4885

“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.