SCHEMBL16712965

SCHEMBL16712965

COc1ccccc1CCNC(=O)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.66
ROCK1 Q13464 4/20 0.66
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HTT P42858 1/20 0.62
MAPT P10636 2/20 0.58
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
POLB P06746 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 1/20 0.56
PTPN7 P35236 1/20 0.56
DUSP3 P51452 1/20 0.56
NAMPT P43490 1/20 0.56
HIF1A Q16665 1/20 0.54
HPGD P15428 1/20 0.54
HDAC1 Q13547 1/20 0.53
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL29111414 0.83 MTNR1A (0.65) ROCK2ROCK1MEN1KMT2AHTT
SCHEMBL3062492 0.82 MTNR1A (0.60) ROCK2ROCK1MEN1KMT2AHTT
SCHEMBL16712995 0.81 TRPV1 (0.62) ROCK2ROCK1MEN1KMT2ANAMPT
SCHEMBL4927962 0.81 MEN1 (0.58) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL5214225 0.80 KMT2A (0.69) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL10063248 0.80 LMNA (0.56) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL1568381 0.79 HDAC1 (0.72) ROCK2ROCK1KMT2AHTTMAPT
SCHEMBL8824768 0.78 MEN1 (0.67) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL3818841 0.78 RAB9A (0.83) ROCK2ROCK1MEN1KMT2ANAMPT
SCHEMBL25212814 0.77 MAPK10 (0.57) ROCK2ROCK1MEN1KMT2AMAPT

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 1/4885MEN1 1663/4885

“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.