SCHEMBL4716240

SCHEMBL4716240

COc1ccc(-c2nc3sccn3c2NC(C)(C)C)cc1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.82
MAPT P10636 7/20 0.62
KMT2A Q03164 2/20 0.62
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56
TUBB2A Q13885 1/20 0.56
TUBB8 Q3ZCM7 1/20 0.56
TUBA3E Q6PEY2 1/20 0.56
TUBA1A Q71U36 1/20 0.56
TUBA1C Q9BQE3 1/20 0.56
TUBB6 Q9BUF5 1/20 0.56
TUBB2B Q9BVA1 1/20 0.56
TUBB1 Q9H4B7 1/20 0.56
THRB P10828 1/20 0.55
GAA P10253 5/20 0.53

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
SCHEMBL4717796 0.80 IDO1 (0.79) IDO1MAPTGAAPOLBRXFP1
SCHEMBL27531301 0.80 IDO1 (0.58) IDO1MAPTKMT2ATUBB4ATUBB
SCHEMBL4717205 0.80 IDO1 (0.66) IDO1MAPTKMT2ATUBB4ATUBB
SCHEMBL4715055 0.79 IDO1 (1.00) IDO1MAPTGAAPOLBTP53
SCHEMBL4719562 0.78 IDO1 (0.73) IDO1MAPTTUBB4ATUBBTUBA3C
SCHEMBL4715160 0.77 IDO1 (0.60) IDO1MAPTKMT2ATUBB4ATUBB
SCHEMBL1252727 0.71 IDO1 (0.63) IDO1MAPTKMT2AGAAPOLB
SCHEMBL4715680 0.71 IDO1 (0.62) IDO1MAPTGAAPOLB
SCHEMBL4714887 0.71 IDO1 (0.59) IDO1MAPTKMT2AGAAPOLB
SCHEMBL12709776 0.70 MAPT (0.51) IDO1MAPTKMT2ATUBB4ATUBB

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 631/4885MAPT 3783/4885KMT2A 993/4885
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 IDO1 631/4885MAPT 3783/4885KMT2A 993/4885

“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.