SCHEMBL1933448

SCHEMBL1933448

CCN(C(=O)O)C(=S)Nc1ccc(Br)c(C)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.53
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 9/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL19920982 0.80 CHRNB2 (0.45) RAB9AKMT2AKDM4ENPC1MAPK1
SCHEMBL1421510 0.78 RAB9A (0.54) RAB9AKMT2AKDM4ENPC1ALDH1A1
SCHEMBL1814015 0.77 RAB9A (0.56) RAB9ACYP1A2KMT2ANPC1ALDH1A1
SCHEMBL25346779 0.76 RAB9A (0.62) RAB9ACYP1A2KMT2AKDM4ENPC1
SCHEMBL12094958 0.76 NPC1 (0.53) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL2773834 0.75 SMN1; SMN2 (0.64) RAB9ACYP1A2KMT2AKDM4ENPC1
SCHEMBL1808893 0.74 RIOK2 (0.45) RAB9AKMT2AKDM4ENPC1ALDH1A1
SCHEMBL20474443 0.73 MEN1 (0.33) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL21892294 0.73 RAB9A (0.59) RAB9ACYP1A2KMT2AKDM4ENPC1
SCHEMBL7930791 0.73 RAB9A (0.62) RAB9ACYP1A2KMT2AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551980-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-08 US disclosed
US-20120328611-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-27 US disclosed
EP-2343294-A1 Substituted triazolopyridines Bayer Schering Pharma AG (DE) 2011-07-13 EP disclosed
WO-2011063907-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 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-20120328611-A1 SUBSTITUTED TRIAZOLOPYRIDINES TTBK1, TTK, BUB1 RAB9A 2351/4885CYP1A2 1917/4885KMT2A 3534/4885

“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.