SCHEMBL917665

SCHEMBL917665

O=C(Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
MAOB P27338 1/20 0.68
CACNA2D1 P54289 6/20 0.67
CACNA1B Q00975 6/20 0.67
CACNB1 Q02641 6/20 0.67
CACNA1C Q13936 5/20 0.67
KDM4E B2RXH2 2/20 0.66
MAPT P10636 2/20 0.66
HPGD P15428 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 1/20 0.64
CACNA1H O95180 1/20 0.64
MGLL Q99685 1/20 0.62
USP2 O75604 1/20 0.59
MAPK1 P28482 1/20 0.59
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
CACNA1G O43497 1/20 0.58
ATM Q13315 1/20 0.58

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
SCHEMBL27545187 0.85 KMT2A (0.74) KMT2AMAOBCACNA2D1CACNA1BCACNB1
SCHEMBL917195 0.84 GPX4 (0.69) CACNA2D1CACNA1BCACNB1CACNA1CMGLL
SCHEMBL917471 0.83 CACNA2D1 (0.59) KMT2ACACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL13994872 0.82 KMT2A (1.00) KMT2AMAOBCACNA2D1CACNA1BCACNB1
SCHEMBL5624203 0.82 KMT2A (0.70) KMT2AMAOBCACNA2D1CACNA1BCACNB1
SCHEMBL3301602 0.81 GPX4 (0.75) KMT2AMAOBCACNA2D1CACNA1BCACNB1
SCHEMBL3397269 0.81 ALDH1A1 (0.72) KMT2AMAOBCACNA2D1CACNA1BCACNB1
SCHEMBL31350986 0.81 MAOB (1.00) KMT2AMAOBCACNA2D1CACNA1BCACNB1
SCHEMBL8175607 0.80 OPRM1 (0.78) KMT2AMAOBCACNA2D1CACNA1BCACNB1
SCHEMBL3396540 0.80 CACNA2D1 (1.00) KMT2AMAOBCACNA2D1CACNA1BCACNB1

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
US-20110071161-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 US disclosed
US-7868007-B2 Triazolopyridine carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-01-11 US disclosed
US-20100035893-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-11 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 (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-20100035893-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FLT3, QDPR, CYP1A2 KMT2A 951/4885MAOB 60/4885CACNA2D1 489/4885
US-20110071161-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FLT3, QDPR, CYP1A2 KMT2A 951/4885MAOB 60/4885CACNA2D1 489/4885

“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.