SCHEMBL18495641

SCHEMBL18495641

Nc1nccc(-c2cc([N+](=O)[O-])ccc2F)n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.60
CDC7 O00311 2/20 0.50
ROCK1 Q13464 4/20 0.47
GSK3B P49841 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HIF1A Q16665 1/20 0.44
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
FEN1 P39748 2/20 0.42
MAP3K14 Q99558 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
AMY1A P0DUB6 1/20 0.41
MAPT P10636 1/20 0.39

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
SCHEMBL2648750 0.83 PIK3CA (0.46) CLK1TDP1ALDH1A1HIF1ACDK2
SCHEMBL31119106 0.83 PIK3CA (0.46) CLK1TDP1ALDH1A1HIF1ACDK2
SCHEMBL20265102 0.81 CLK1 (0.60) CLK1CDC7ROCK1GSK3BCDK5
SCHEMBL18495643 0.77 FEN1 (0.48) CLK1CDC7GSK3BCDK5CDK5R1
SCHEMBL4526945 0.76 ROCK1 (0.57) CLK1CDC7ROCK1ALDH1A1PIK3CA
SCHEMBL30775416 0.76 MAP3K14 (0.57) CDC7ROCK1GSK3BCDK5CDK5R1
SCHEMBL2658617 0.76 ALDH1A1 (0.45) TDP1ALDH1A1HIF1AAMY1AMAPT
SCHEMBL30369564 0.76 CLK1 (1.00) CLK1GSK3BCDK5CDK5R1CDK2
SCHEMBL30369770 0.76 CLK1 (0.82) CLK1GSK3BCDK5CDK5R1MAP3K14
SCHEMBL28982761 0.76 CLK1 (1.00) CLK1GSK3BCDK5CDK5R1CDK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331885-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-12-23 EP disclosed
CN-108137599-B Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2020-10-27 CN disclosed
US-10479792-B2 Compounds GiaxoSmithKline Intellectual Property Development Limited (GB) 2019-11-19 US disclosed
US-10479792-B2 Compounds GiaxoSmithKline Intellectual Property Development Limited (GB) 2019-11-19 US disclosed
US-20180222911-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-09 US disclosed
US-20180222911-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-09 US disclosed
US-20180222911-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-09 US disclosed
EP-3331885-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-06-13 EP disclosed
WO-2017025416-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-02-16 WO disclosed
WO-2017025416-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-02-16 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 (2 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-20180222911-A1 COMPOUNDS TBCA, MPO, GOT1 CLK1 3040/4885CDC7 4393/4885ROCK1 3557/4885
US-10479792-B2 Compounds TBCA, MPO, GOT1 CLK1 3040/4885CDC7 4393/4885ROCK1 3557/4885

“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.