SCHEMBL5774009

SCHEMBL5774009

COc1cccc(-c2ccc(OC)n3nc(NC(=O)c4ccc(F)cc4)nc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.48
DGAT2 Q96PD7 2/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
ADCY1 Q08828 1/20 0.43
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 2/20 0.42
SCD O00767 1/20 0.42
JAK1 P23458 1/20 0.42
PLAU P00749 2/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 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
SCHEMBL5776616 0.91 MAPT (0.45) JAK2DGAT2KDM4EMAPTTRPV1
SCHEMBL5774131 0.89 LMNA (0.53) JAK2KDM4EMAPTLMNAKMT2A
SCHEMBL5774953 0.88 LMNA (0.46) JAK2KDM4EMAPTTP53LMNA
SCHEMBL5775847 0.85 RAB9A (0.52) KDM4EMAPTTP53LMNAKMT2A
SCHEMBL6743436 0.83 LMNA (0.44) JAK2KDM4EMAPTLMNAADCY1
SCHEMBL6646981 0.83 KDM4E (0.47) KDM4EMAPTTP53LMNAKMT2A
SCHEMBL5774927 0.81 NPC1 (0.42) JAK2DGAT2KDM4EMAPTTP53
SCHEMBL5771367 0.80 KDM4E (0.47) JAK2KDM4EMAPTLMNAJAK1
SCHEMBL5770812 0.79 MAPT (0.48) JAK2KDM4EMAPTLMNAKMT2A
SCHEMBL5775294 0.78 KMT2A (0.47) KDM4EMAPTTP53LMNAKMT2A

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 JAK2 1422/4885DGAT2 2040/4885KDM4E 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.