SCHEMBL18495643

SCHEMBL18495643

Nc1ccc(F)c(-c2ccnc(N)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.48
MAP3K14 Q99558 3/20 0.48
CDK2 P24941 5/20 0.45
CDC7 O00311 3/20 0.45
DBF4 Q9UBU7 2/20 0.45
CCNE1 P24864 1/20 0.45
GSK3B P49841 7/20 0.44
PRKACA P17612 5/20 0.44
DYRK1A Q13627 4/20 0.44
HSP90AA1 P07900 2/20 0.44
AURKA O14965 1/20 0.44
ADORA2A P29274 1/20 0.44
KMO O15229 1/20 0.42
CDK5 Q00535 6/20 0.42
CDK5R1 Q15078 5/20 0.42
CDK1 P06493 4/20 0.42
CCNB2 O95067 3/20 0.42
CCNB1 P14635 3/20 0.42
PRKACG P22612 3/20 0.42
PRKACB P22694 3/20 0.42

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
SCHEMBL30775416 0.85 MAP3K14 (0.57) FEN1MAP3K14CDK2CDC7GSK3B
SCHEMBL2649419 0.83 KMO (0.40) FEN1MAP3K14CDK2CDC7DBF4
SCHEMBL5803933 0.79 CDK1 (0.58) MAP3K14CDK2CCNE1GSK3BPRKACA
SCHEMBL5140478 0.79 FEN1 (0.57) FEN1MAP3K14CDK2CDC7DBF4
SCHEMBL30353577 0.79 FEN1 (0.57) FEN1MAP3K14CDK2CDC7DBF4
SCHEMBL18495641 0.77 CLK1 (0.60) FEN1MAP3K14CDK2CDC7DBF4
SCHEMBL2650530 0.76 MAP4K4 (0.43) CDK2GSK3BPRKACAHSP90AA1ADORA2A
SCHEMBL17292996 0.76 MAPT (0.56) MAP3K14CDK2CDC7DBF4CCNE1
SCHEMBL20467870 0.76 MAP3K14 (0.45) FEN1MAP3K14CDK2CCNE1GSK3B
SCHEMBL27159221 0.75 FEN1 (0.54) FEN1MAP3K14CDK2CDC7GSK3B

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 11 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
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 FEN1 4607/4885MAP3K14 2152/4885CDK2 4457/4885
US-10479792-B2 Compounds TBCA, MPO, GOT1 FEN1 4607/4885MAP3K14 2152/4885CDK2 4457/4885

“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.