SCHEMBL4789113

SCHEMBL4789113

O=C(O)Cc1nc(-c2ccncc2)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.55
GRK2 P25098 14/20 0.55
LMNA P02545 1/20 0.52
PRKCA P17252 5/20 0.50
PDE10A Q9Y233 1/20 0.50
GRK3 P35626 2/20 0.48
GRK5 P34947 1/20 0.47
GRK7 Q8WTQ7 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL4033927 0.87 LMNA (0.67) ROCK2GRK2LMNAPRKCAPDE10A
SCHEMBL6037006 0.86 ROCK2 (0.54) ROCK2GRK2LMNAPRKCAPDE10A
SCHEMBL4788582 0.80 ROCK2 (0.62) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL4789370 0.80 LMNA (0.78) ROCK2GRK2LMNAPRKCAPDE10A
SCHEMBL7597446 0.79 LMNA (0.51) LMNARAB9A
SCHEMBL4790463 0.78 ROCK2 (0.58) ROCK2GRK2LMNAPRKCAPDE10A
SCHEMBL4789632 0.76 ROCK2 (0.56) ROCK2GRK2PDE10A
SCHEMBL7026348 0.75 KDM4E (0.54) LMNA
SCHEMBL4790124 0.75 ROCK2 (0.59) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL5116803 0.75 ROCK2 (0.50) ROCK2GRK2LMNAPRKCAPDE10A

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 254/4885LMNA 1847/4885

“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.