SCHEMBL3240977

SCHEMBL3240977

CN(Cc1ccccc1)C(=O)Nc1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.75
ROCK1 Q13464 6/20 0.75
CYP2C9 P11712 3/20 0.75
CDC42BPA Q5VT25 3/20 0.75
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
MTOR P42345 2/20 0.56
MYLK4 Q86YV6 1/20 0.54

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
SCHEMBL3249897 0.88 ROCK2 (0.78) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3247307 0.87 ROCK2 (0.76) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3241830 0.86 ROCK2 (0.78) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3253046 0.86 ROCK2 (1.00) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3247657 0.85 ROCK2 (0.80) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3124743 0.85 ROCK2 (0.76) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3238663 0.85 ROCK2 (0.77) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL19661755 0.85 ROCK2 (0.69) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3123814 0.84 ROCK2 (0.82) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL13391269 0.83 ROCK2 (0.71) ROCK2ROCK1CYP2C9CDC42BPACYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed
US-20140179697-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-26 US disclosed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO 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-20140179697-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR ROCK2 2416/4885ROCK1 2077/4885CYP2C9 2554/4885

“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.