SCHEMBL3814385

SCHEMBL3814385

Cc1nc(CN2C(=O)c3ccccc3C2=O)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.40
DPP8 Q6V1X1 5/20 0.40
DPP9 Q86TI2 5/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CRHR1 P34998 1/20 0.38
TYR P14679 1/20 0.38
HSD11B1 P28845 3/20 0.37
MAPT P10636 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3819682 0.80 KMT2A (0.41) DPP4CRHR1HSD11B1
SCHEMBL3821670 0.80 DPP4 (0.46) DPP4DPP8DPP9CYP3A4
Hydrochloric Acid SCHEMBL3819328 0.79 DPP4 (0.46) DPP4DPP8DPP9CYP3A4
SCHEMBL3817571 0.78 KMT2A (0.42) DPP4CRHR1HSD11B1
SCHEMBL3818618 0.73 TACR1 (0.45) CYP3A4CYP2C19MAPTCYP1A2CYP2D6
SCHEMBL3109826 0.72 GRM5 (0.38) ALDH1A1TYRMAPT
SCHEMBL6024731 0.70 KMT2A (0.47) DPP4CRHR1HSD11B1
SCHEMBL3820776 0.70 BCL2L1 (0.41) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL3822423 0.69 DPP4 (0.40) DPP4CYP3A4CYP2C19ALDH1A1MAPT
SCHEMBL4480277 0.69 ALDH1A1 (0.51) ALDH1A1RXFP1TYRMAPT

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 3 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 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

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 1069/4885DPP8 2559/4885DPP9 1940/4885

“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.