SCHEMBL4718082

SCHEMBL4718082

Cc1cccc(C)c1Nc1c(-c2ccccn2)nc2sccn12

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 18/20 0.66
MAPT P10636 17/20 0.66
HTT P42858 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
KMT2A Q03164 3/20 0.66
NPSR1 Q6W5P4 3/20 0.66
MAPK1 P28482 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
TP53 P04637 5/20 0.59
THRB P10828 2/20 0.55
POLB P06746 2/20 0.53
TDP1 Q9NUW8 4/20 0.52
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GFER P55789 1/20 0.51

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
SCHEMBL4716773 0.81 MAPT (0.77) GAAMAPTSMN1; SMN2TP53THRB
SCHEMBL4716881 0.80 IDO1 (0.69) GAAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL6327366 0.78 GAA (0.69) GAAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL4718191 0.76 GAA (0.65) GAAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL4714747 0.66 IDO1 (0.70) GAAMAPTTP53THRBPOLB
SCHEMBL21064028 0.64 IDO1 (0.72) GAAMAPTTP53POLB
SCHEMBL6652519 0.63 GAA (0.72) GAAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL1104759 0.62 MET (0.43) GAAMAPTSMN1; SMN2MAPK1L3MBTL1
SCHEMBL2966928 0.62 KDM4E (0.53) GAAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL18136533 0.61 IDO1 (0.61) GAAMAPTTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 2494/4885MAPT 3783/4885HTT 4159/4885
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 GAA 2494/4885MAPT 3783/4885HTT 4159/4885

“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.