SCHEMBL4715053

SCHEMBL4715053

CC(C)(C)Nc1c(C2CCCCC2)nc2sccn12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.54
TSHR P16473 2/20 0.43
ALOX5 P09917 1/20 0.41
ROCK2 O75116 1/20 0.40
PIM1 P11309 1/20 0.40
KDR P35968 1/20 0.40
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL4715462 0.81 ALOX5 (0.56) TSHRALOX5ROCK2PIM1KDR
SCHEMBL4720268 0.76 TSHR (0.43) IDO1TSHRALOX5ROCK2PIM1
SCHEMBL4715680 0.75 IDO1 (0.62) IDO1ALDH1A1GAAMAPTPOLB
SCHEMBL6648048 0.73 ALDH1A1 (0.56) TSHRALOX5ALDH1A1GAAMAPT
SCHEMBL4715055 0.70 IDO1 (1.00) IDO1GAAMAPTPOLBHSD17B10
SCHEMBL4717796 0.69 IDO1 (0.79) IDO1ALDH1A1GAAMAPTPOLB
SCHEMBL6651475 0.66 CREBBP (0.40) TSHRALOX5ALDH1A1GAAMAPT
SCHEMBL4716917 0.64 IDO1 (0.69) IDO1ALDH1A1GAAMAPTPOLB
SCHEMBL4715464 0.64 ALOX5 (0.69) IDO1ALOX5ROCK2PIM1KDR
SCHEMBL4717242 0.64 IDO1 (0.65) IDO1ALDH1A1GAAMAPTPOLB

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 631/4885TSHR 2285/4885ALOX5 1930/4885
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 IDO1 631/4885TSHR 2285/4885ALOX5 1930/4885

“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.