SCHEMBL16396226

SCHEMBL16396226

Nc1cc(-c2ccc(F)cc2F)cc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.43
ADORA2B P29275 2/20 0.43
CDC7 O00311 1/20 0.43
DAPK3 O43293 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
CDK2 P24941 1/20 0.43
FLT3 P36888 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3B P49841 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
PRKX P51817 1/20 0.43
JAK3 P52333 1/20 0.43
CDK5 Q00535 1/20 0.43

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
SCHEMBL16150623 0.88 ADORA2A (0.41) ADORA2AADORA2BADORA1ALDH1A1MEN1
SCHEMBL29502729 0.73 HSP90AA1 (0.57) ADORA2ACDC7DAPK3PRKD3MAP4K4
SCHEMBL22932502 0.73 ADORA2A (0.40) ADORA2AADORA2BADORA1ALDH1A1MEN1
SCHEMBL3944466 0.73 HSP90AA1 (0.57) ADORA2ACDC7DAPK3PRKD3MAP4K4
SCHEMBL19433368 0.72 APP (0.43) ADORA2AADORA2BADORA1ALDH1A1FEN1
SCHEMBL30224316 0.72 KMO (0.42) ALDH1A1FEN1MEN1KMT2AALOX5AP
SCHEMBL3273312 0.72 KMO (0.42) ALDH1A1FEN1MEN1KMT2AALOX5AP
SCHEMBL21819775 0.72 ALDH1A1 (0.48) ADORA2AADORA1ALDH1A1FEN1MEN1
SCHEMBL29646646 0.72 ALDH1A1 (0.48) ADORA2AADORA1ALDH1A1FEN1MEN1
SCHEMBL17476800 0.71 ADORA3 (0.48) ADORA2AADORA2BCDC7ROCK2ROCK1

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-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 EP disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 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-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A ADORA2A 3818/4885ADORA2B 4325/4885CDC7 2252/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A ADORA2A 3818/4885ADORA2B 4325/4885CDC7 2252/4885

“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.