SCHEMBL16712968

SCHEMBL16712968

COc1cccc(CCNC(=O)c2ccc(-c3ccncc3)cc2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.79
ROCK1 Q13464 11/20 0.79
CYP3A4 P08684 4/20 0.79
CYP2D6 P10635 4/20 0.79
CYP2C9 P11712 4/20 0.79
PRKACA P17612 4/20 0.79
PRKX P51817 3/20 0.79
PRKCQ Q04759 3/20 0.79
GSK3A P49840 3/20 0.79
GSK3B P49841 3/20 0.79
CLK4 Q9HAZ1 3/20 0.79
RAB9A P51151 1/20 0.67
AURKA O14965 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA7 P43166 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
PTAFR P25105 1/20 0.63
GRK5 P34947 1/20 0.61

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
SCHEMBL1568765 0.93 RAB9A (0.69) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL12495842 0.89 RAB9A (0.71) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL1584297 0.88 ROCK2 (1.00) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL25719243 0.85 ROCK2 (0.93) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL18085942 0.84 RAB9A (0.64) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL5681767 0.84 RAB9A (0.73) RAB9ACA1CA2CA7CA9
SCHEMBL16712959 0.83 ROCK2 (0.77) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL95553 0.83 RAB9A (0.72) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL6718536 0.83 RAB9A (0.72) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL6713509 0.83 RAB9A (0.72) ROCK2ROCK1CYP3A4CYP2D6CYP2C9

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 1/4885CYP3A4 3259/4885

“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.