SCHEMBL6645240

SCHEMBL6645240

CSc1ccc(-c2nc3ncccn3c2NC(C)(C)C)s1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.51
BRD4 O60885 1/20 0.49
MAPT P10636 7/20 0.48
TP53 P04637 2/20 0.48
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRA1B P35368 1/20 0.38
GFER P55789 1/20 0.37
PKM P14618 2/20 0.36
KMT2A Q03164 2/20 0.36
IDO1 P14902 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 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
SCHEMBL5119366 0.77 GAA (0.46) GAABRD4MAPTTP53ALDH1A1
SCHEMBL6644372 0.71 BRD4 (0.58) GAABRD4MAPTALDH1A1KDM4E
SCHEMBL5114372 0.68 GAA (0.43) GAABRD4MAPTTP53ALDH1A1
SCHEMBL5122532 0.67 GAA (0.43) GAABRD4MAPTTP53ALDH1A1
SCHEMBL16424694 0.66 BRD4 (1.00) GAABRD4ALDH1A1KDM4EHPGD
SCHEMBL5263543 0.65 ADRA1B (0.53) GAABRD4MAPTTP53ALDH1A1
SCHEMBL5118702 0.65 ADRA1B (0.64) GAABRD4MAPTTP53ALDH1A1
Hydrochloric Acid SCHEMBL5129005 0.65 ADRA1B (0.52) GAABRD4MAPTTP53ALDH1A1
SCHEMBL5114962 0.65 BRD4 (0.48) GAABRD4MAPTTP53ALDH1A1
SCHEMBL5118071 0.64 ADRA1B (0.51) GAABRD4MAPTTP53ALDH1A1

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 11 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
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 GAA 3278/4885BRD4 60/4885MAPT 1832/4885

“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.