SCHEMBL14907646

SCHEMBL14907646

Nc1cccc(CNC(=O)NCc2ccnc3[nH]ccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 1/20 0.43
RET P07949 1/20 0.43
PRKCI P41743 1/20 0.42
NAMPT P43490 1/20 0.42
AKT2 P31751 2/20 0.41
BRAF P15056 1/20 0.41
BTK Q06187 4/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
ELANE P08246 1/20 0.40
AKT1 P31749 1/20 0.40
NUDT1 P36639 1/20 0.39
CIT O14578 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
MAPK1 P28482 1/20 0.38
KLKB1 P03952 1/20 0.38

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
SCHEMBL14907647 0.89 ALDH1A1 (0.42) RETPRKCIAKT2AURKARPS6KB1
SCHEMBL14907701 0.89 RET (0.39) ROCK2ROCK1RETPRKCIAKT2
SCHEMBL14907655 0.86 RET (0.43) ROCK1RETPRKCIBTKNUDT1
SCHEMBL16141574 0.84 IKBKB (0.39) ROCK2ROCK1RETPRKCINAMPT
SCHEMBL14907738 0.84 PRKCI (0.37) ROCK2ROCK1RETPRKCIAKT2
SCHEMBL14907674 0.83 PRKCI (0.36) ROCK2ROCK1RETPRKCIAKT2
SCHEMBL14894331 0.81 BRAF (0.46) ROCK2RETBRAFBTKAURKA
SCHEMBL14907856 0.80 ROCK2 (0.44) ROCK2ROCK1NAMPTAURKARPS6KB1
SCHEMBL14907706 0.79 ROCK2 (0.44) ROCK2ROCK1NAMPTAURKARPS6KB1
SCHEMBL14907835 0.79 ROCK2 (0.44) ROCK2ROCK1NAMPTBRAFAURKA

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 3 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-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 476/4885RET 2315/4885

“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.