SCHEMBL3815262

SCHEMBL3815262

NCc1ncc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.53
ADORA2A P29274 8/20 0.53
PTGS2 P35354 2/20 0.44
PTGS1 P23219 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
DPP4 P27487 2/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL19835882 0.83 MALT1 (0.49) ADORA1ADORA2APTGS2MALT1DPP4
SCHEMBL18792160 0.82 DPP4 (0.45) ADORA1ADORA2ADPP4KMT2A
SCHEMBL20067097 0.81 PDE10A (0.42) ADORA1DPP4KMT2A
SCHEMBL9695434 0.79 KMT2A (0.66) ADORA1ADORA2APTGS2DPP4KMT2A
SCHEMBL13342833 0.78 ADORA1 (0.49) ADORA1ADORA2APTGS2PTGS1MALT1
SCHEMBL27813726 0.76 IKBKB (0.43) ADORA1ADORA2ADPP4
SCHEMBL4582424 0.76 ADORA1 (0.83) ADORA1ADORA2AGFERKMT2A
Ammonia Solution, Strong SCHEMBL28877790 0.74 ADORA1 (0.81) ADORA1ADORA2AGFERKMT2A
SCHEMBL5990731 0.73 ADORA1 (0.54) ADORA1ADORA2AKMT2A
SCHEMBL1509570 0.72 RAB9A (0.54) DPP4

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
WO-2012117216-A1 N- (ARYLALKYL) - 1H- INDOLE- 2 - SULFONIC ACID AMIDE COMPOUNDS AND THEIR THERAPEUTIC USE AS CANNABINOID ALLOSTERIC MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2012-09-07 WO disclosed
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 ADORA1 73/4885ADORA2A 108/4885PTGS2 935/4885

“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.