SCHEMBL5774585

SCHEMBL5774585

COc1ccc(-c2ccccc2)c2nc(N)nn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
PDE10A Q9Y233 2/20 0.43
JAK2 O60674 3/20 0.42
NUDT1 P36639 1/20 0.41
HSP90AB1 P08238 4/20 0.41
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 4/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5774204 0.86 ALDH1A1 (0.43) PDE10AJAK2KDM4ENPC1MAPK1
SCHEMBL5777127 0.86 KMT2A (0.44) PDE10AJAK2HSP90AB1KDM4ENPC1
SCHEMBL5777168 0.85 KDM4E (0.49) KDM4EKMT2AALDH1A1MAPTHPGD
SCHEMBL5774575 0.84 FYN (0.41) PDE10AJAK2HSP90AB1KDM4EHSD17B10
SCHEMBL2144889 0.80 PDPK1 (0.50) PDPK1PDE10AJAK2NUDT1HSP90AB1
SCHEMBL4066707 0.76 PDE10A (0.45) PDE10AJAK2HSP90AB1KDM4EMAPK1
SCHEMBL21886983 0.73 JAK2 (0.47) PDPK1JAK2NUDT1KDM4EHSD17B10
SCHEMBL2250839 0.71 PDE4D (0.64) PDPK1PDE10AJAK2NUDT1HSP90AB1
SCHEMBL5770812 0.69 MAPT (0.48) JAK2KDM4ENPC1RAB9AMEN1
SCHEMBL2144884 0.67 NUDT1 (0.58) PDPK1NUDT1KDM4ENPC1RAB9A

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 PDPK1 2126/4885PDE10A 903/4885JAK2 1422/4885

“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.