SCHEMBL4789523

SCHEMBL4789523

COc1ccc(C2(CCc3nc(-c4ccncc4)n[nH]3)OCCO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.54
GRK2 P25098 10/20 0.54
PRKCA P17252 2/20 0.41
PDE10A Q9Y233 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
MAPK8 P45983 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4789976 0.73 ROCK2 (0.60) ROCK2GRK2PRKCAPDE10ANPC1
SCHEMBL29615270 0.68 LTA4H (0.45) NPC1RAB9A
SCHEMBL5116727 0.67 ROCK2 (0.68) ROCK2GRK2PRKCAKDM4ECYP1A2
SCHEMBL10848899 0.67 MAOB (0.41)
SCHEMBL11250459 0.67 SMN1; SMN2 (0.38) NPC1RAB9A
SCHEMBL1041941 0.67 ROCK2 (0.57) ROCK2GRK2NPC1RAB9AKDM4E
SCHEMBL12134317 0.66 SMN1; SMN2 (0.40) NPC1RAB9ACYP3A4CYP2C19
SCHEMBL7654725 0.66 ROCK2 (0.53) ROCK2GRK2PDE10ANPC1RAB9A
SCHEMBL7910285 0.65 ROCK2 (0.56) ROCK2GRK2PDE10AKDM4E
SCHEMBL11237122 0.65 MEN1 (0.52) RAB9AKDM4ECYP1A2CYP3A4CYP2D6

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 5 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
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.