SCHEMBL16396242

SCHEMBL16396242

Nc1cc(-c2ccc(F)nc2)cc(-c2ccc(F)cc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 13/20 0.44
ALOX5AP P20292 10/20 0.44
FGFR1 P11362 1/20 0.41
GRM5 P41594 1/20 0.41
CLK1 P49759 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
TDO2 P48775 1/20 0.37

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
SCHEMBL16402065 0.85 FEN1 (0.42) FEN1ALOX5APCLK1
SCHEMBL21819775 0.80 ALDH1A1 (0.48) FEN1ALOX5APCLK1
SCHEMBL29646646 0.80 ALDH1A1 (0.48) FEN1ALOX5APCLK1
SCHEMBL4513696 0.74 FEN1 (0.65) FEN1ALOX5APTDO2
SCHEMBL11545227 0.73 TAAR1 (0.50) FEN1ALOX5APPDE3BPDE3A
SCHEMBL16342565 0.72 PTGS2 (0.45) FEN1ALOX5APCLK1
SCHEMBL30296616 0.72 CYP2A6 (0.44) FEN1ALOX5APPDE3BPDE3ACYP2E1
SCHEMBL26459083 0.72 CYP2A6 (0.44) FEN1ALOX5APPDE3BPDE3ACYP2E1
SCHEMBL16395977 0.72 ALDH1A1 (0.41) FEN1ALOX5APCLK1
SCHEMBL19433368 0.72 APP (0.43) FEN1ALOX5APCLK1

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 FEN1 4643/4885ALOX5AP 3965/4885FGFR1 746/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A FEN1 4643/4885ALOX5AP 3965/4885FGFR1 746/4885

“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.