SCHEMBL14907856

SCHEMBL14907856

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.44
ROCK1 Q13464 1/20 0.41
NAMPT P43490 2/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.37
AURKA O14965 3/20 0.37
PTK2 Q05397 2/20 0.37
RPS6KB1 P23443 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
AURKB Q96GD4 2/20 0.36
EGFR P00533 2/20 0.36
IGF1R P08069 2/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL14907706 0.88 ROCK2 (0.44) ROCK2ROCK1NAMPTAURKARPS6KB1
SCHEMBL14907835 0.88 ROCK2 (0.44) ROCK2ROCK1NAMPTAURKARPS6KB1
SCHEMBL14907912 0.82 CHRM3 (0.40) ROCK2ROCK1NAMPT
SCHEMBL14907646 0.80 ROCK2 (0.43) ROCK2ROCK1NAMPTMAPK1AURKA
SCHEMBL14894005 0.77 GFER (0.47) LMNAAURKAPTK2AURKB
SCHEMBL15939311 0.75 NAMPT (0.59) ROCK2ROCK1NAMPTAURKARPS6KB1
SCHEMBL29738559 0.75 NAMPT (0.59) ROCK2ROCK1NAMPTAURKARPS6KB1
SCHEMBL14907797 0.71 BTK (0.49) ROCK1EGFR
SCHEMBL14894551 0.70 EGFR (0.56) AURKAEGFR
SCHEMBL14907701 0.69 RET (0.39) ROCK2ROCK1AURKARPS6KB1EGFR

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 ROCK2 487/4885ROCK1 476/4885NAMPT 3476/4885

“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.