SCHEMBL2773739

SCHEMBL2773739

O=C(O)NC(=S)Nc1ccc(Br)c(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.44
SORT1 Q99523 1/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 7/20 0.39
NPC1 O15118 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2773834 0.83 SMN1; SMN2 (0.64) RXFP1SMN1; SMN2KMT2AKDM4ECYP1A2
SCHEMBL12317142 0.83 MAPT (0.50) RXFP1SMN1; SMN2KMT2AKDM4ECYP1A2
SCHEMBL18005192 0.76 PTK2 (0.50) RXFP1SMN1; SMN2KMT2AKDM4ECYP1A2
SCHEMBL2771743 0.75 RAB9A (0.49) SMN1; SMN2KMT2AKDM4ECYP1A2MAPT
SCHEMBL3028344 0.75 GRM5 (0.50) KMT2AKDM4ECYP1A2SORT1MAPT
SCHEMBL16296294 0.73 MAPT (0.39) SMN1; SMN2KMT2AKDM4ECYP1A2SORT1
SCHEMBL16295141 0.72 MAPT (0.69) SMN1; SMN2KMT2AKDM4EMAPTRAB9A
SCHEMBL856249 0.72 MAPT (0.64) RXFP1SMN1; SMN2KMT2ACYP1A2MAPT
SCHEMBL2773540 0.71 NPC1 (0.60) SMN1; SMN2KMT2ASORT1MAPTRAB9A
SCHEMBL4327363 0.70 KMT2A (0.74) SMN1; SMN2KMT2AKDM4ECYP1A2MAPT

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
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 US disclosed
EP-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 EP disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 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-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 RXFP1 1969/4885SMN1; SMN2 3001/4885KMT2A 2653/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 RXFP1 1969/4885SMN1; SMN2 3001/4885KMT2A 2653/4885

“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.