SCHEMBL16712996

SCHEMBL16712996

O=C(NCc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.74
ROCK1 Q13464 3/20 0.74
PRKACA P17612 2/20 0.74
RPS6KB1 P23443 2/20 0.74
PRKX P51817 2/20 0.74
PRKG2 Q13237 2/20 0.74
PRKG1 Q13976 2/20 0.74
PKN2 Q16513 2/20 0.74
CLK4 Q9HAZ1 2/20 0.74
RPS6KA5 O75582 1/20 0.74
MAP4K4 O95819 1/20 0.74
PRKCG P05129 1/20 0.74
MAPK1 P28482 1/20 0.74
AKT1 P31749 1/20 0.74
GSK3A P49840 1/20 0.74
GSK3B P49841 1/20 0.74
PRKCD Q05655 1/20 0.74
DYRK1A Q13627 1/20 0.74
CDC42BPA Q5VT25 1/20 0.74
SGK2 Q9HBY8 1/20 0.74

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
SCHEMBL1569160 0.91 CYP3A4 (0.74) ROCK2ROCK1PRKACARPS6KB1PRKX
SCHEMBL30828595 0.88 MMP13 (0.88) ROCK2ROCK1PRKACARPS6KB1PRKX
SCHEMBL8987867 0.86 MEN1 (0.78) CYP3A4MAPK14TSHRMEN1KMT2A
SCHEMBL1926318 0.85 EPHX2 (0.77) ROCK2ROCK1PRKACARPS6KB1PRKX
SCHEMBL3812691 0.85 ROCK2 (1.00) ROCK2ROCK1PRKACARPS6KB1PRKX
SCHEMBL20379630 0.82 NAMPT (0.88) CYP3A4MAPK14NAMPT
SCHEMBL539269 0.82 MMP13 (1.00) ROCK2ROCK1PRKACARPS6KB1PRKX
SCHEMBL11626607 0.82 KMT2A (0.74) ROCK2ROCK1PRKACARPS6KB1PRKX
SCHEMBL14527348 0.81 HDAC1 (0.62) ROCK2ROCK1PRKACARPS6KB1PRKX
SCHEMBL26101409 0.81 NAMPT (0.81) MAPK1RAB9ANAMPT

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 1/4885PRKACA 1754/4885

“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.