SCHEMBL5775847

SCHEMBL5775847

COc1cccc(C(=O)Nc2nc3c(-c4ccccc4)ccc(OC)n3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
JAK1 P23458 1/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 4/20 0.48
TP53 P04637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
DYRK3 O43781 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKD3 O94806 1/20 0.48

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
SCHEMBL5777381 0.90 GRM5 (0.46) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL6647054 0.89 TDP2 (0.52) RAB9ANPC1POLBSMN1; SMN2LMNA
SCHEMBL6646981 0.89 KDM4E (0.47) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL5776616 0.85 MAPT (0.45) POLBSMN1; SMN2JAK1KDM4EMAPT
SCHEMBL5774009 0.85 JAK2 (0.48) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL5774131 0.84 LMNA (0.53) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL5770812 0.84 MAPT (0.48) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL5771367 0.82 KDM4E (0.47) JAK1LMNAKDM4EMAPT
SCHEMBL7149095 0.80 MAPT (0.54) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL5774953 0.78 LMNA (0.46) RAB9ANPC1KMT2ASMN1; SMN2LMNA

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 RAB9A 2006/4885NPC1 781/4885MEN1 4031/4885

“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.