SCHEMBL4788074

SCHEMBL4788074

O=C(NCc1nc(-c2ccncc2)c[nH]1)c1ccc(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PTGS1 P23219 1/20 0.42
GSK3B P49841 2/20 0.41
CDC7 O00311 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 4/20 0.41
CASP1 P29466 2/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.38
POLA1 P09884 1/20 0.37
MEN1 O00255 2/20 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
SCHEMBL14313620 0.89 MAPK1 (0.42) GSK3BCDC7MAP4K4PIM1PRKACA
SCHEMBL4790118 0.80 ROCK2 (0.52) ROCK2
SCHEMBL4790121 0.80 GFER (0.42) GFERALDH1A1PTGS1GSK3BCDC7
SCHEMBL4790390 0.79 MAPK1 (0.48) ALDH1A1GSK3BCDC7MAP4K4PIM1
SCHEMBL4790269 0.78 ROCK2 (0.50) GFERALDH1A1PTGS1GSK3BPIM1
SCHEMBL4789607 0.78 GSK3B (0.41) ALDH1A1GSK3BCDC7MAP4K4PIM1
SCHEMBL4758212 0.77 TSHR (0.42) GFERALDH1A1GSK3BCDC7MAP4K4
SCHEMBL14313621 0.76 MAPK1 (0.48) GSK3BCDC7MAP4K4PIM1PRKACA
SCHEMBL4790116 0.74 TSHR (0.53) ALDH1A1ROCK1KMT2ATSHRMEN1
SCHEMBL14289622 0.70 POLB (0.50) GSK3BCDC7MAP4K4PIM1PRKACA

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 4 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
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US 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 GFER 3282/4885ALDH1A1 3968/4885PTGS1 434/4885

“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.