SCHEMBL5774575

SCHEMBL5774575

COc1ccc(-c2cccc(F)c2)c2nc(N)nn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.41
JAK2 O60674 2/20 0.39
F2RL3 Q96RI0 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
JAK1 P23458 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
PDE10A Q9Y233 1/20 0.37
ADORA2A P29274 2/20 0.36
CSNK1D P48730 1/20 0.36
ADORA1 P30542 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CA4 P22748 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5777168 0.86 KDM4E (0.49) FYNKDM4EALDH1A1HPGDTSHR
SCHEMBL5777127 0.84 KMT2A (0.44) FYNJAK2KDM4EALDH1A1HPGD
SCHEMBL5774585 0.84 PDPK1 (0.44) JAK2KDM4EALDH1A1HPGDTSHR
SCHEMBL5774204 0.76 ALDH1A1 (0.43) JAK2KDM4EALDH1A1HPGDJAK1
SCHEMBL6876513 0.75 PDE4D (0.48) FYNJAK1PDGFRBPDGFRAPDE10A
SCHEMBL12517030 0.72 JAK2 (0.63) JAK2KDM4EJAK1ADORA2AADORA1
SCHEMBL6646981 0.71 KDM4E (0.47) KDM4EMEN1MAPTKMT2A
SCHEMBL4066707 0.70 PDE10A (0.45) JAK2KDM4EALDH1A1HPGDJAK1
SCHEMBL5777543 0.69 FYN (0.47) FYNF2RL3KDM4EALDH1A1PDGFRB
SCHEMBL20150236 0.67 ADORA1 (0.51) FYNPDGFRBPDGFRAADORA2AADORA1

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 10 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 claimed
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 claimed
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 claimed
US-20030134873-A1 Adenosine receptor ligands F. HOFFMANN-LA ROCHE AG (CH) 2003-07-17 US claimed
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 claimed
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 2393/4885JAK2 1422/4885F2RL3 871/4885

“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.