SCHEMBL917124

SCHEMBL917124

O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nnc2ncc(Cl)cc21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.69
FAAH O00519 4/20 0.64
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 2/20 0.47
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
CACNA2D1 P54289 8/20 0.47
CACNB1 Q02641 8/20 0.47
CACNA1B Q00975 7/20 0.47
CACNA1C Q13936 5/20 0.46
CACNA1G O43497 2/20 0.46
TACR3 P29371 1/20 0.46
CACNA1A O00555 1/20 0.45

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
SCHEMBL916649 0.92 MGLL (0.58) MGLLFAAHCACNA2D1CACNB1CACNA1B
SCHEMBL916798 0.89 MGLL (0.55) MGLLFAAHCNR1CNR2CACNA2D1
SCHEMBL917630 0.82 MGLL (1.00) MGLLFAAHKMT2AKDM4EMAPT
SCHEMBL916475 0.79 MGLL (0.81) MGLLFAAHKDM4ENPSR1CACNA2D1
SCHEMBL3016226 0.76 HPGD (0.42) MGLLFAAHKMT2AMAPTHPGD
SCHEMBL13246546 0.72 MGLL (0.81) MGLLFAAHKMT2AKDM4EMAPT
SCHEMBL916928 0.72 MGLL (0.81) MGLLFAAHKMT2AKDM4EMAPT
SCHEMBL16598964 0.70 MAOB (0.64) KMT2AKDM4EHPGDNPSR1ALDH1A1
SCHEMBL31350838 0.70 MAOB (0.64) KMT2AKDM4EHPGDNPSR1ALDH1A1
SCHEMBL3761244 0.69 CACNA2D1 (0.63) KMT2AKDM4EMAPTHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868007-B2 Triazolopyridine carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-01-11 US claimed
EP-2146991-B1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-28 EP claimed
US-20100035893-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-11 US claimed
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
EP-2146991-B1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-28 EP disclosed
US-20100035893-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
EP-2146991-A2 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-01-27 EP disclosed
WO-2008145842-A2 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-12-04 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 (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 MGLL 3483/4885FAAH 707/4885KMT2A 951/4885
US-20110071161-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FLT3, QDPR, CYP1A2 MGLL 3483/4885FAAH 707/4885KMT2A 951/4885

“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.