SCHEMBL16712958

SCHEMBL16712958

NC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 1.00
ROCK1 Q13464 5/20 0.59
MYLK4 Q86YV6 5/20 0.57
AKT2 P31751 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
SCHEMBL4662575 0.86 ROCK2 (0.76) ROCK2ROCK1MYLK4AKT2
SCHEMBL1254733 0.85 ROCK2 (0.74) ROCK2ROCK1MYLK4
Acetic Acid SCHEMBL4661546 0.84 ROCK2 (0.73) ROCK2ROCK1MYLK4
SCHEMBL20661019 0.83 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20661144 0.83 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL21979523 0.83 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20661120 0.81 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL13457481 0.79 ROCK2 (0.64) ROCK2
SCHEMBL1978203 0.79 ROCK2 (0.69) ROCK2AKT2
SCHEMBL1254574 0.78 ROCK2 (0.68) ROCK2ROCK1MYLK4AKT2

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
US-9617214-B2 Compounds for cognitive enhancement and methods of use thereof THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2017-04-11 US disclosed
US-9617214-B2 Compounds for cognitive enhancement and methods of use thereof THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2017-04-11 US disclosed
US-20160272587-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2016-09-22 US disclosed
US-20160272587-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2016-09-22 US disclosed
WO-2015070170-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-05-14 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-20160272587-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885MYLK4 1049/4885

“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.