SCHEMBL5777543

SCHEMBL5777543

COc1ccc(-c2cccc(F)c2)c(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.47
RAF1 P04049 1/20 0.45
DYRK1A Q13627 1/20 0.45
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PDE4B Q07343 1/20 0.41
CA4 P22748 1/20 0.40
DHPS P49366 1/20 0.40
MAP4K4 O95819 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
DPP4 P27487 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NPC1 O15118 1/20 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
SCHEMBL5773238 0.83 TDO2 (0.52) FYNDYRK1AKMT2AKDM4EMAP4K4
SCHEMBL5776315 0.81 MAPK13 (0.41) FYNDYRK1AMEN1KMT2AKDM4E
SCHEMBL5775819 0.80 NPC1 (0.49) RAF1DYRK1AMEN1KMT2AKDM4E
SCHEMBL23674525 0.75 DYRK1A (0.45) DYRK1A
SCHEMBL30112212 0.75 DYRK1A (0.45) DYRK1A
SCHEMBL13575381 0.71 HSD17B1 (0.67) FYNPDGFRBPDGFRAKMT2ATAAR1
SCHEMBL5774599 0.71 MEN1 (0.43) MEN1KMT2AKDM4EDHPSMAP4K4
SCHEMBL20150236 0.71 ADORA1 (0.51) FYNPDGFRBPDGFRAMAPTADORA2A
SCHEMBL15955973 0.71 RPS6KB1 (0.47) FYNDYRK1AMEN1KMT2AKDM4E
SCHEMBL15624567 0.70 CYP1A1 (0.58) FYNPDGFRBPDGFRAKDM4EPDE4B

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 FYN 2393/4885RAF1 970/4885DYRK1A 2630/4885

“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.