SCHEMBL14907912

SCHEMBL14907912

Nc1cccc(CNC(=O)NCc2ccnc3[nH]cc(CN4CCCC4)c23)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.40
ROCK2 O75116 2/20 0.39
ALOX15 P16050 2/20 0.38
NAMPT P43490 2/20 0.38
ROCK1 Q13464 1/20 0.37
TP53 P04637 1/20 0.37
DRD2 P14416 4/20 0.36
DRD4 P21917 4/20 0.36
DRD3 P35462 4/20 0.36
HRH3 Q9Y5N1 2/20 0.36
PIK3CD O00329 1/20 0.35

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
SCHEMBL14907856 0.82 ROCK2 (0.44) ROCK2NAMPTROCK1
SCHEMBL14907706 0.81 ROCK2 (0.44) ROCK2NAMPTROCK1
SCHEMBL14907835 0.81 ROCK2 (0.44) ROCK2NAMPTROCK1
SCHEMBL14894519 0.80 CCR3 (0.43) NAMPTHRH3
SCHEMBL14907646 0.74 ROCK2 (0.43) ROCK2NAMPTROCK1
SCHEMBL14907882 0.73 ALOX15 (0.49) ROCK2ALOX15ROCK1DRD2DRD4
SCHEMBL14907828 0.70 ALOX15 (0.47) ROCK2ALOX15ROCK1DRD2DRD4
SCHEMBL29738559 0.69 NAMPT (0.59) ROCK2NAMPTROCK1
SCHEMBL15939311 0.69 NAMPT (0.59) ROCK2NAMPTROCK1
SCHEMBL26686721 0.66 ALOX15 (0.52) ROCK2ALOX15ROCK1DRD2DRD4

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-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B CHRM3 3419/4885ROCK2 487/4885ALOX15 3780/4885

“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.