SCHEMBL4789632

SCHEMBL4789632

NCc1nc(-c2ccncc2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.56
GRK2 P25098 13/20 0.56
PDE10A Q9Y233 1/20 0.48
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
JAK2 O60674 1/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
Hydrochloric Acid SCHEMBL4789635 0.98 ROCK2 (0.55) ROCK2GRK2PDE10ANR1H2NR1H3
Bromide SCHEMBL4788732 0.98 ROCK2 (0.55) ROCK2GRK2PDE10ANR1H2NR1H3
SCHEMBL7910285 0.86 ROCK2 (0.56) ROCK2GRK2PDE10ANR1H2NR1H3
Hydrochloric Acid SCHEMBL14736164 0.84 ROCK2 (0.55) ROCK2GRK2PDE10ANR1H2NR1H3
SCHEMBL12079522 0.83 NR1H2 (0.66) ROCK2GRK2NR1H2NR1H3
SCHEMBL3822424 0.80 RET (0.62) ROCK2GRK2NR1H2NR1H3
SCHEMBL16510587 0.80 SMN1; SMN2 (0.58) NR1H2NR1H3KDM4E
SCHEMBL6037006 0.78 ROCK2 (0.54) ROCK2GRK2PDE10A
SCHEMBL5451247 0.77 ROCK2 (0.52) ROCK2GRK2PDE10ANR1H2NR1H3
SCHEMBL14289634 0.77 ROCK2 (0.64) ROCK2GRK2

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 254/4885PDE10A 1124/4885

“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.