SCHEMBL4715464

SCHEMBL4715464

c1ccc(-c2nc3sccn3c2NC2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.69
ROCK2 O75116 1/20 0.64
PIM1 P11309 1/20 0.64
KDR P35968 1/20 0.64
GSK3B P49841 1/20 0.64
IDO1 P14902 3/20 0.58
HSD17B10 Q99714 1/20 0.56
ADORA1 P30542 1/20 0.53
GAA P10253 4/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GFER P55789 1/20 0.52
NTRK1 P04629 2/20 0.51
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 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
SCHEMBL4717778 0.89 ALOX5 (0.68) ALOX5ROCK2PIM1KDRGSK3B
SCHEMBL4718191 0.83 GAA (0.65) ALOX5ROCK2PIM1KDRGSK3B
SCHEMBL4715462 0.79 ALOX5 (0.56) ALOX5ROCK2PIM1KDRGSK3B
SCHEMBL3668038 0.78 PIM1 (1.00) ALOX5ROCK2PIM1KDRGSK3B
SCHEMBL7975156 0.78 ADORA1 (0.81) ALOX5ROCK2PIM1GSK3BADORA1
SCHEMBL21064028 0.77 IDO1 (0.72) KDRIDO1HSD17B10GAANTRK1
SCHEMBL4715161 0.77 ROCK2 (0.57) ALOX5ROCK2PIM1KDRGSK3B
SCHEMBL4714990 0.77 ROCK2 (0.55) ALOX5ROCK2PIM1KDRGSK3B
SCHEMBL2986663 0.76 ADORA1 (0.79) ALOX5ROCK2PIM1GSK3BADORA1
SCHEMBL24620602 0.75 IDO1 (0.65) KDRIDO1HSD17B10GAANTRK1

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 ALOX5 1930/4885ROCK2 4798/4885PIM1 4103/4885
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 ALOX5 1930/4885ROCK2 4798/4885PIM1 4103/4885

“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.