SCHEMBL4789976

SCHEMBL4789976

COc1ccc(C(=O)CCc2nc(-c3ccncc3)n[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.60
GRK2 P25098 6/20 0.60
PRKCA P17252 2/20 0.52
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK8 P45983 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EGFR P00533 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46

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
SCHEMBL4789027 0.86 PDE10A (0.46) ROCK2GRK2PRKCANPC1RAB9A
SCHEMBL5116727 0.81 ROCK2 (0.68) ROCK2GRK2PRKCACYP1A2CYP3A4
SCHEMBL7544800 0.74 NPC1 (0.69) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL11742493 0.73 NPC1 (0.67) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL4789523 0.73 ROCK2 (0.54) ROCK2GRK2PRKCACYP1A2CYP3A4
SCHEMBL5116756 0.71 ROCK2 (0.59) ROCK2GRK2PRKCACYP3A4CYP2D6
SCHEMBL1041941 0.71 ROCK2 (0.57) ROCK2GRK2MAPK8NPC1RAB9A
SCHEMBL13376864 0.71 MAPK8 (0.66) ROCK2GRK2PRKCACYP1A2CYP3A4
SCHEMBL5122272 0.71 ROCK2 (0.76) ROCK2GRK2PRKCACYP3A4CYP2D6
SCHEMBL4789113 0.70 ROCK2 (0.55) ROCK2GRK2PRKCARAB9APDE10A

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 ROCK2 2/4885GRK2 254/4885PRKCA 110/4885

“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.