SCHEMBL3819682

SCHEMBL3819682

Cc1nc(CO)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CNR1 P21554 9/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
HSD11B1 P28845 2/20 0.39
DPP4 P27487 1/20 0.39
CRHR1 P34998 1/20 0.39
CNR2 P34972 4/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL3821670 0.88 DPP4 (0.46) KMT2AATMCNR1DPP4CNR2
Hydrochloric Acid SCHEMBL3819328 0.87 DPP4 (0.46) KMT2AATMCNR1DPP4CNR2
SCHEMBL3817571 0.86 KMT2A (0.42) KMT2AATMCNR1CDC7DBF4
SCHEMBL3814385 0.80 DPP4 (0.40) HSD11B1DPP4CRHR1
SCHEMBL6024731 0.78 KMT2A (0.47) KMT2AATMCNR1HSD11B1DPP4
SCHEMBL3818618 0.77 TACR1 (0.45) CNR1
SCHEMBL3822423 0.74 DPP4 (0.40) CNR1DPP4CNR2
SCHEMBL3814518 0.73 DPP4 (0.37) CNR1HSD11B1DPP4CNR2
SCHEMBL6807275 0.72 CNR1 (0.46) KMT2AATMCNR1CNR2
SCHEMBL3818189 0.72 KDM1A (0.41) KMT2ACNR1DPP4

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
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 KMT2A 1313/4885ATM 3985/4885CNR1 32/4885

“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.