SCHEMBL3028699

SCHEMBL3028699

Cc1cc(Cl)nc(NC(=S)NC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CACNA1B Q00975 2/20 0.43
APBA1 Q02410 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 5/20 0.40
LCK P06239 1/20 0.40
NPC1 O15118 4/20 0.40
LMNA P02545 1/20 0.40
PPARG P37231 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39

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
SCHEMBL1292284 0.86 KMT2A (0.38) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL12317147 0.84 HTT (0.49) MEN1KMT2ACACNA1BAPBA1NPSR1
SCHEMBL2775350 0.80 ALDH1A1 (0.41) MEN1KMT2ANPSR1KDM4ESMN1; SMN2
SCHEMBL3028344 0.76 GRM5 (0.50) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL2033687 0.74 HTT (0.51) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL1292324 0.73 MAPT (0.44) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL27514517 0.72 KMT2A (0.47) MEN1KMT2ANPSR1RXFP1KDM4E
SCHEMBL4218771 0.70 MAPT (0.44) KMT2ANPSR1ALDH1A1MAPTHTT
SCHEMBL3585800 0.69 MAPT (0.49) MEN1KMT2ACACNA1BAPBA1KDM4E
SCHEMBL16296300 0.69 MAPT (0.52) MEN1KMT2ANPSR1KDM4ESMN1; SMN2

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-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

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 MEN1 3192/4885KMT2A 2653/4885CACNA1B 962/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MEN1 3192/4885KMT2A 2653/4885CACNA1B 962/4885

“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.