SCHEMBL4789608

SCHEMBL4789608

CN(C(=O)O)c1nc(-c2ccncc2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 8/20 0.43
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
CCNC P24863 3/20 0.36
CDK8 P49336 3/20 0.36
IMPDH2 P12268 2/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL2347041 0.88 ALDH1A1 (0.38) GRM1KMT2AGSK3B
SCHEMBL2340570 0.85 ALDH1A1 (0.37) KDM4EKMT2A
SCHEMBL4699630 0.84 ALPL (0.40) KDM4EKMT2A
SCHEMBL4704289 0.77 MCL1 (0.43) KDM4EKMT2A
SCHEMBL4702321 0.73 SMN1; SMN2 (0.51)
SCHEMBL4788586 0.73 GRM1 (0.43) GRM1ROCK2KDM4EKMT2A
SCHEMBL4702012 0.72 NOS1 (0.47)
SCHEMBL27564497 0.71 PAX8 (0.46) KMT2A
SCHEMBL4758474 0.70 GRM1 (0.43) GRM1ROCK2ROCK1CDC7DBF4
SCHEMBL17794330 0.69 PIN1 (0.41) KDM4EKMT2A

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
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA GRM1 3978/4885ROCK2 2/4885ROCK1 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.