SCHEMBL16396266

SCHEMBL16396266

Nc1cc(Cl)cc(Nc2ccc(F)cc2F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.48
EPAS1 Q99814 3/20 0.43
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK14 Q16539 3/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ACLY P53396 1/20 0.39
APP P05067 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 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
SCHEMBL27145735 0.88 SOS1 (0.50) SOS1EPAS1MEN1PKMGFER
SCHEMBL28924001 0.78 SOS1 (0.63) SOS1MEN1KMT2AMAPK14CNR1
SCHEMBL16395935 0.75 EPAS1 (0.51) SOS1EPAS1MEN1PKMGFER
SCHEMBL20155540 0.72 ALDH1A1 (0.47) SOS1PKMKMT2AMAPK14ACLY
SCHEMBL7121104 0.70 HTR3A (0.46) EPAS1
SCHEMBL21468597 0.70 SOS1 (0.53) SOS1PKMMAPK14APPALDH1A1
SCHEMBL13042657 0.70 RAB9A (0.59) SOS1MEN1KMT2AMAPK14CNR1
SCHEMBL27905216 0.68 CYP3A4 (0.46) MEN1KMT2ATP53CYP3A4CYP2D6
SCHEMBL27140347 0.68 CYP1A2 (0.51) EPAS1MEN1KMT2ACYP2C19ALDH1A1
SCHEMBL19433368 0.68 APP (0.43) MEN1KMT2ACNR1APPTP53

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 SOS1 669/4885EPAS1 847/4885MEN1 3206/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A SOS1 669/4885EPAS1 847/4885MEN1 3206/4885

“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.