SCHEMBL23429984

SCHEMBL23429984

NC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.64
ROCK1 Q13464 10/20 0.64
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
JAK2 O60674 2/20 0.63
CYP3A4 P08684 2/20 0.60
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
JAK1 P23458 1/20 0.55
CDC7 O00311 1/20 0.53
PLK4 O00444 1/20 0.53
CHEK1 O14757 1/20 0.53
DCLK1 O15075 1/20 0.53
MAPK13 O15264 1/20 0.53
PDPK1 O15530 1/20 0.53
DAPK3 O43293 1/20 0.53
DYRK3 O43781 1/20 0.53
RPS6KA5 O75582 1/20 0.53

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 0.88 NPC1 (0.65) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL20672744 0.88 ROCK2 (0.65) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL23430169 0.88 ROCK2 (0.59) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL23429983 0.87 ROCK2 (0.64) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL1457361 0.87 ROCK2 (0.63) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL2555843 0.85 ROCK2 (0.64) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL2555842 0.85 ROCK2 (0.64) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL20672732 0.85 MEN1 (0.62) ROCK2ROCK1NPC1RAB9AJAK2
SCHEMBL23430076 0.85 NPC1 (0.67) ROCK2ROCK1NPC1RAB9AALDH1A1
SCHEMBL23430027 0.83 ROCK2 (0.56) ROCK2ROCK1NPC1RAB9AJAK2

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.