SCHEMBL4789607

SCHEMBL4789607

O=C(O)NCc1nc(-c2ccncc2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.41
ROCK1 Q13464 11/20 0.40
ROCK2 O75116 9/20 0.40
PRKACA P17612 3/20 0.38
MAP4K4 O95819 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
CDC7 O00311 1/20 0.38
PIM1 P11309 1/20 0.38
CDK2 P24941 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKCG P05129 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MAPK1 P28482 1/20 0.38
AKT1 P31749 1/20 0.38
GSK3A P49840 1/20 0.38
PRKX P51817 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKG2 Q13237 1/20 0.38

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
SCHEMBL2347037 0.88 MEN1 (0.40) CYP2C9ALDH1A1
SCHEMBL2340566 0.85 LMNA (0.38) ROCK2CYP2C9ALDH1A1LMNA
SCHEMBL4699628 0.85 ALPL (0.40) ROCK1ROCK2MAPK1CYP2C9ALDH1A1
SCHEMBL14289622 0.80 POLB (0.50) GSK3BROCK1ROCK2PRKACAMAP4K4
SCHEMBL4790116 0.79 TSHR (0.53) ROCK1MAPK1ALDH1A1LMNA
SCHEMBL4790390 0.79 MAPK1 (0.48) GSK3BROCK1ROCK2PRKACAMAP4K4
SCHEMBL14313621 0.79 MAPK1 (0.48) GSK3BROCK1ROCK2PRKACAMAP4K4
SCHEMBL4704287 0.79 MAPT (0.43) ROCK2CYP2C9ALDH1A1LMNA
SCHEMBL14313620 0.78 MAPK1 (0.42) GSK3BROCK1ROCK2PRKACAMAP4K4
SCHEMBL18342388 0.78 KMT2A (0.40) ALDH1A1LMNA

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 GSK3B 715/4885ROCK1 1/4885ROCK2 2/4885

“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.