SCHEMBL3814518

SCHEMBL3814518

Cc1nc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
HSD11B1 P28845 1/20 0.35
DDR1 Q08345 2/20 0.35
CCKBR P32239 1/20 0.35
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SCN9A Q15858 1/20 0.34
SGK1 O00141 1/20 0.33

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
SCHEMBL3822423 0.91 DPP4 (0.40) DPP4EDNRBEDNRACNR2CNR1
SCHEMBL3818189 0.88 KDM1A (0.41) DPP4CNR1ALDH1A1
SCHEMBL3820776 0.75 BCL2L1 (0.41) MCL1ALDH1A1
SCHEMBL3817260 0.75 CNR1 (0.43) DPP4EDNRBEDNRACNR1ALDH1A1
SCHEMBL3821670 0.75 DPP4 (0.46) DPP4CNR2CNR1
Hydrochloric Acid SCHEMBL3819328 0.74 DPP4 (0.46) DPP4CNR2CNR1
SCHEMBL3819682 0.73 KMT2A (0.41) DPP4HSD11B1CNR2CNR1
SCHEMBL3813884 0.72 KDM1A (0.42) DPP4CNR1
SCHEMBL3817571 0.71 KMT2A (0.42) DPP4HSD11B1CNR1
SCHEMBL3813863 0.70 MEN1 (0.50) CNR2CNR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937672-B1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2009-09-02 EP claimed
US-7541361-B2 N-[4,5-diphenylpyrimidin-2-yl)methyl]amine derivatives, the preparation thereof and their therapeutic use SANOFI-AVENTIS (FR) 2009-06-02 US claimed
US-20080176867-A1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2008-07-24 US claimed
EP-1937672-A1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-07-02 EP claimed
WO-2007006928-A1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-01-18 WO claimed
EP-1937672-B1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2009-09-02 EP disclosed
US-7541361-B2 N-[4,5-diphenylpyrimidin-2-yl)methyl]amine derivatives, the preparation thereof and their therapeutic use SANOFI-AVENTIS (FR) 2009-06-02 US disclosed
US-20080176867-A1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2008-07-24 US disclosed
EP-1937672-A1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-07-02 EP disclosed
WO-2007006928-A1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-01-18 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 (1 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-20080176867-A1 N-[(4,5-DIPHENYLPYRIMIDIN-2-YL)METHYL]AMINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR THERAPEUTIC USE NQO1, PRMT5, QDPR DPP4 1069/4885ALOX5AP 1748/4885FEN1 3689/4885

“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.