SCHEMBL5774599

SCHEMBL5774599

COc1ccc(-c2ccc(Cl)cc2)c(N)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PPARG P37231 1/20 0.41
STAT3 P40763 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
DHPS P49366 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDO2 P48775 1/20 0.39
MAP4K4 O95819 2/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL5776315 0.83 MAPK13 (0.41) MEN1KMT2AKDM4ERXFP1DHPS
SCHEMBL5775819 0.82 NPC1 (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL22686783 0.77 WDR91 (0.42) MAP4K4
SCHEMBL21223602 0.76 MAP4K4 (0.50) KDM4EALDH1A1HPGDPPARGSTAT3
SCHEMBL2317842 0.74 SIRT2 (0.43) KMT2AALDH1A1HPGDNPC1RAB9A
SCHEMBL23674525 0.73 DYRK1A (0.45)
SCHEMBL30112212 0.73 DYRK1A (0.45)
SCHEMBL5773238 0.72 TDO2 (0.52) KMT2AKDM4EALDH1A1NPSR1RXFP1
SCHEMBL5777543 0.71 FYN (0.47) MEN1KMT2AKDM4EALDH1A1DHPS
SCHEMBL3702318 0.71 LRRK2 (0.45) MAP4K4

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
EP-1436292-B1 5-METHOXY-8-ARYL-¬1,2,4|TRIAZOLO¬1,5-A|PYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-08-30 EP disclosed
EP-1436292-A1 5-METHOXY-8-ARYL-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-07-14 EP disclosed
US-6693116-B2 8-PHENYL-(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-2-YL)-BENZAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2004-02-17 US disclosed
US-20030134873-A1 Adenosine receptor ligands F. HOFFMANN-LA ROCHE AG (CH) 2003-07-17 US disclosed
WO-2003031445-A1 5-METHOXY-8-ARYL-[1,2,4] TRIAZOLO [1,5-A] PYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-04-17 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-20030134873-A1 Adenosine receptor ligands ADORA1, ADORA2A, ADORA3 MEN1 4031/4885KMT2A 3181/4885KDM4E 4345/4885

“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.