SCHEMBL16396000

SCHEMBL16396000

N#Cc1cc(N)cc(-c2ccc(F)cc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
ADORA1 P30542 2/20 0.44
ADORA2A P29274 1/20 0.44
EGLN2 Q96KS0 2/20 0.40
ALOX5AP P20292 4/20 0.39
FEN1 P39748 4/20 0.39
TTR P02766 2/20 0.38
ALDH1A1 P00352 2/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
GRM5 P41594 1/20 0.35
MAP4K4 O95819 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
DHFR P00374 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL16402118 0.84 TTR (0.38) GABRG2GABRB3GABRA5GABRA3ADORA1
SCHEMBL21819775 0.82 ALDH1A1 (0.48) ADORA1ADORA2AALOX5APFEN1TTR
SCHEMBL29646646 0.82 ALDH1A1 (0.48) ADORA1ADORA2AALOX5APFEN1TTR
SCHEMBL18001988 0.78 RXRA (0.46) GABRG2GABRB3GABRA5GABRA3ADORA1
SCHEMBL16396244 0.78 CLK1 (0.35) GABRG2GABRB3GABRA5GABRA3ADORA1
SCHEMBL28226221 0.77 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA3ADORA1
SCHEMBL24017180 0.77 GABRG2 (0.64) GABRG2GABRB3GABRA5GABRA3ADORA1
SCHEMBL16396032 0.75 VCAM1 (0.54) GABRG2GABRB3GABRA5GABRA3TTR
SCHEMBL16395977 0.75 ALDH1A1 (0.41) ADORA1ADORA2AALOX5APFEN1TTR
SCHEMBL16342565 0.75 PTGS2 (0.45) ADORA1ADORA2AALOX5APFEN1TTR

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 6 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
CN-105283443-A Heterocyclic derivatives and use thereof C & C RES LAB 2016-01-27 CN 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 GABRG2 1855/4885GABRB3 1362/4885GABRA5 1204/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A GABRG2 1855/4885GABRB3 1362/4885GABRA5 1204/4885

“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.