SCHEMBL4789370

SCHEMBL4789370

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

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.78
RAB9A P51151 1/20 0.74
ROCK2 O75116 13/20 0.46
GRK2 P25098 12/20 0.46
GRK3 P35626 1/20 0.46
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PRKCA P17252 2/20 0.43
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL16153996 0.85 RAB9A (1.00) LMNARAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL4789113 0.80 ROCK2 (0.55) LMNARAB9AROCK2GRK2GRK3
SCHEMBL6037006 0.79 ROCK2 (0.54) LMNARAB9AROCK2GRK2GRK3
SCHEMBL22950517 0.77 RAB9A (0.71) LMNARAB9AHSD17B10HPGD
SCHEMBL22949632 0.74 RAB9A (0.65) LMNARAB9AHSD17B10HPGD
SCHEMBL4788582 0.73 ROCK2 (0.62) ROCK2GRK2GRK3PRKCA
SCHEMBL22950631 0.72 LMNA (0.57) LMNARAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL873891 0.72 LMNA (0.57) LMNARAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL4790463 0.71 ROCK2 (0.58) LMNAROCK2GRK2GRK3PRKCA
SCHEMBL304656 0.71 CYP19A1 (0.63)

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 LMNA 1847/4885RAB9A 232/4885ROCK2 2/4885

“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.