SCHEMBL4717796

SCHEMBL4717796

Cc1ccc(-c2nc3sccn3c2NC(C)(C)C)cc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.79
GAA P10253 9/20 0.62
MAPT P10636 8/20 0.62
POLB P06746 2/20 0.62
TP53 P04637 3/20 0.61
HSD17B10 Q99714 1/20 0.47
ADRA1B P35368 1/20 0.46
NR1I3 Q14994 1/20 0.45
TOP2A P11388 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GFER P55789 1/20 0.44
BRD4 O60885 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL4715055 0.88 IDO1 (1.00) IDO1GAAMAPTPOLBTP53
SCHEMBL4716240 0.80 IDO1 (0.82) IDO1GAAMAPTPOLBTP53
SCHEMBL4715680 0.79 IDO1 (0.62) IDO1GAAMAPTPOLBKDM4E
SCHEMBL4714747 0.79 IDO1 (0.70) IDO1GAAMAPTPOLBTP53
SCHEMBL4719562 0.79 IDO1 (0.73) IDO1GAAMAPTPOLBTP53
SCHEMBL27492490 0.77 GAA (0.58) IDO1GAAMAPTPOLBTP53
SCHEMBL1252727 0.76 IDO1 (0.63) IDO1GAAMAPTPOLBTP53
SCHEMBL4716917 0.75 IDO1 (0.69) IDO1GAAMAPTPOLBTP53
SCHEMBL4716881 0.75 IDO1 (0.69) IDO1GAAMAPTPOLBHSD17B10
SCHEMBL4717242 0.75 IDO1 (0.65) IDO1GAAMAPTPOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218383-B1 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-11-05 EP claimed
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2004-02-05 US claimed
US-6657064-B2 For use as analgesics GRUENENTHAL GMBH (DE) 2003-12-02 US claimed
JP-2003511456-A 2003-03-25 JP claimed
US-20020183320-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2002-12-05 US claimed
EP-1218383-A2 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2002-07-03 EP claimed
WO-2001027118-A2 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2001-04-19 WO claimed
EP-1218383-B1 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-11-05 EP disclosed
US-6936631-B2 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2005-08-30 US disclosed
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2004-02-05 US disclosed
US-6657064-B2 For use as analgesics GRUENENTHAL GMBH (DE) 2003-12-02 US disclosed
US-20020183320-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2002-12-05 US disclosed
EP-1218383-A2 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2001027118-A2 BICYCLIC IMIDAZO-5-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 (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-20020183320-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 IDO1 631/4885GAA 2494/4885MAPT 3783/4885
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 IDO1 631/4885GAA 2494/4885MAPT 3783/4885

“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.