SCHEMBL6646005

SCHEMBL6646005

CC(C)(C)Nc1c(-c2cccnc2)nc2ccccn12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.76
KDM4E B2RXH2 3/20 0.65
GAA P10253 3/20 0.65
MAPK1 P28482 2/20 0.65
TOP2A P11388 2/20 0.60
BACE1 P56817 6/20 0.56
BACE2 Q9Y5Z0 6/20 0.56
BRD4 O60885 2/20 0.56
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
SALL4 Q9UJQ4 2/20 0.53
TRIM24 O15164 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL997742 0.87 GAA (0.59) ADRA1BKDM4EGAAMAPK1TOP2A
SCHEMBL25414843 0.86 ADRA1B (1.00) ADRA1BKDM4ETOP2ABACE1BACE2
SCHEMBL25416714 0.85 ADRA1B (0.91) ADRA1BKDM4ETOP2ABACE1BACE2
SCHEMBL6650055 0.84 GAA (0.67) ADRA1BKDM4EGAAMAPK1BACE1
SCHEMBL6651229 0.82 GAA (0.71) ADRA1BKDM4EGAAMAPK1TOP2A
SCHEMBL12781599 0.82 ADRA1B (0.71) ADRA1BKDM4EGAAMAPK1TOP2A
SCHEMBL6644372 0.81 BRD4 (0.58) ADRA1BKDM4EGAAMAPK1BRD4
SCHEMBL16424708 0.79 ADRA1B (0.80) ADRA1BKDM4ETOP2ABACE1BACE2
SCHEMBL28600538 0.79 ADRA1B (0.80) ADRA1BKDM4ETOP2ABACE1BACE2
SCHEMBL6643374 0.79 ADRA1B (0.74) ADRA1BTOP2ABACE1BACE2BRD4

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-1218382-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-01-28 EP claimed
US-6638933-B2 Analgesics GRUENENTHAL GMBH (DE) 2003-10-28 US claimed
JP-2003511451-A 2003-03-25 JP claimed
US-20030018032-A1 Bicyclic imidazo-3-yl-amine derivatives GRUENENTHAL GMBH 2003-01-23 US claimed
EP-1218382-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2002-07-03 EP claimed
WO-2001027111-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2001-04-19 WO claimed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed
EP-1218382-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-01-28 EP disclosed
US-6638933-B2 Analgesics GRUENENTHAL GMBH (DE) 2003-10-28 US disclosed
US-20030018032-A1 Bicyclic imidazo-3-yl-amine derivatives GRUENENTHAL GMBH 2003-01-23 US disclosed
EP-1218382-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2001027111-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2001-04-19 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-20030018032-A1 Bicyclic imidazo-3-yl-amine derivatives OPRK1, IPO4, GRIN3A ADRA1B 477/4885KDM4E 2957/4885GAA 3278/4885

“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.