SCHEMBL6327366

SCHEMBL6327366

Cc1cccc(C)c1Nc1c(-c2cccnc2)nc2sccn12

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 16/20 0.69
MAPT P10636 12/20 0.69
TP53 P04637 6/20 0.64
THRB P10828 2/20 0.59
POLB P06746 1/20 0.55
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
IDO1 P14902 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47

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 0.87 MAPT (0.77) GAAMAPTTP53THRBPOLB
SCHEMBL4718082 0.78 GAA (0.66) GAAMAPTTP53THRBPOLB
SCHEMBL7963701 0.71 GAA (0.71) GAAMAPTTP53KDM4EMAPK1
SCHEMBL1097746 0.66 GAA (0.55) GAAMAPTTP53KDM4EMAPK1
SCHEMBL4715055 0.65 IDO1 (1.00) GAAMAPTTP53POLBIDO1
SCHEMBL4719562 0.65 IDO1 (0.73) GAAMAPTTP53THRBPOLB
SCHEMBL14022531 0.64 GAA (0.65) GAAMAPTTP53KDM4EMAPK1
SCHEMBL18136533 0.63 IDO1 (0.61) GAAMAPTTP53POLBIDO1
SCHEMBL31355246 0.63 GAA (0.83) GAAMAPTTP53POLBKDM4E
SCHEMBL4714747 0.63 IDO1 (0.70) GAAMAPTTP53THRBPOLB

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
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
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 3783/4885TP53 4215/4885
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 GAA 2494/4885MAPT 3783/4885TP53 4215/4885

“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.