SCHEMBL4069827

SCHEMBL4069827

O=C(c1cccc(Br)c1)c1ncc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 5/20 0.54
KMT2A Q03164 4/20 0.48
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
BRAF P15056 1/20 0.40
HDAC1 Q13547 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 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
SCHEMBL8736210 0.89 RAB9A (0.62) NPC1RAB9AKMT2AALDH1A1BRAF
SCHEMBL697332 0.81 NPC1 (0.54) NPC1RAB9AKMT2APARP1MEN1
SCHEMBL13947485 0.81 RAB9A (0.54) NPC1RAB9AKMT2AALDH1A1BRAF
SCHEMBL111544 0.81 KMT2A (0.55) NPC1RAB9AKMT2APARP1ALDH1A1
SCHEMBL7519925 0.81 RAB9A (0.54) NPC1RAB9AKMT2AALDH1A1BRAF
SCHEMBL3473764 0.80 RAB9A (0.70) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL653441 0.80 RAB9A (0.69) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL112010 0.79 NPC1 (0.55) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL28886445 0.78 HTT (0.51) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL112360 0.78 NPC1 (0.50) NPC1RAB9AKMT2AMEN1MAOA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758907-B1 DIPHENYLIMIDAZOPYRIMIDINE AND -IMIDAZOLE AMINES AS INHIBITORS OF B-SECRETASE WYETH CORP (US) 2009-02-18 EP disclosed
US-20090042912-A1 DIPHENYLIMIDAZOLYL COMPOUNDS AS INHIBITORS OF beta-SECRETASE WYETH (US) 2009-02-12 US disclosed
US-20090042912-A1 DIPHENYLIMIDAZOLYL COMPOUNDS AS INHIBITORS OF beta-SECRETASE WYETH (US) 2009-02-12 US disclosed
US-20090042912-A1 DIPHENYLIMIDAZOLYL COMPOUNDS AS INHIBITORS OF beta-SECRETASE WYETH (US) 2009-02-12 US disclosed
US-7456186-B2 Diphenylimidazopyrimidines as inhibitors of β-secretase WYETH (US) 2008-11-25 US disclosed
US-7456186-B2 Diphenylimidazopyrimidines as inhibitors of β-secretase WYETH (US) 2008-11-25 US disclosed
US-7456186-B2 Diphenylimidazopyrimidines as inhibitors of β-secretase WYETH (US) 2008-11-25 US disclosed
CN-1997646-A Diphenylimidazopyrimidines and diphenylimidazopyridines as beta-secretase inhibitors WYETH CORP (US) 2007-07-11 CN disclosed
EP-1758907-A1 DIPHENYLIMIDAZOPYRIMIDINE AND -IMIDAZOLE AMINES AS INHIBITORS OF B-SECRETASE Wyeth (US) 2007-03-07 EP disclosed
WO-2006009655-A1 DIPHENYLIMIDAZOPYRIMIDINE AND -IMIDAZOLE AMINES AS INHIBITORS OF B-SECRETASE WYETH (US) 2006-01-26 WO disclosed
WO-2006009655-A1 DIPHENYLIMIDAZOPYRIMIDINE AND -IMIDAZOLE AMINES AS INHIBITORS OF B-SECRETASE WYETH (US) 2006-01-26 WO disclosed
US-20050282826-A1 Diphenylimidazopyrimidine and -imidazole amines as inhibitors of beta-secretase WYETH (US) 2005-12-22 US 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 (2 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-20090042912-A1 DIPHENYLIMIDAZOLYL COMPOUNDS AS INHIBITORS OF beta-SECRETASE BACE1, BACE2, APP NPC1 225/4885RAB9A 2545/4885KMT2A 3665/4885
US-20050282826-A1 Diphenylimidazopyrimidine and -imidazole amines as inhibitors of beta-secretase BACE1, BACE2, APP NPC1 315/4885RAB9A 2935/4885KMT2A 2281/4885

“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.