SCHEMBL4715161

SCHEMBL4715161

Cc1ccc(-c2nc3sccn3c2NC2CCCCC2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.57
PIM1 P11309 1/20 0.57
KDR P35968 1/20 0.57
GSK3B P49841 1/20 0.57
ALOX5 P09917 5/20 0.54
GAA P10253 10/20 0.48
ALDH1A1 P00352 9/20 0.48
MAPT P10636 7/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
ADORA1 P30542 1/20 0.45
GFER P55789 4/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4714990 0.91 ROCK2 (0.55) ROCK2PIM1KDRGSK3BALOX5
SCHEMBL4715464 0.77 ALOX5 (0.69) ROCK2PIM1KDRGSK3BALOX5
SCHEMBL4717778 0.76 ALOX5 (0.68) ROCK2PIM1KDRGSK3BALOX5
SCHEMBL2611934 0.74 ALOX5 (0.56) ALOX5GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL4718191 0.73 GAA (0.65) ROCK2PIM1KDRGSK3BALOX5
SCHEMBL3668038 0.73 PIM1 (1.00) ROCK2PIM1KDRGSK3BALOX5
SCHEMBL4715462 0.71 ALOX5 (0.56) ROCK2PIM1KDRGSK3BALOX5
SCHEMBL5166419 0.71 ALOX5 (0.68) ALOX5GAAALDH1A1MAPTKDM4E
SCHEMBL2611941 0.70 ADORA1 (0.71) ROCK2PIM1GSK3BALOX5GAA
SCHEMBL13031653 0.68 ALDH1A1 (0.40) ROCK2PIM1KDRGSK3BALOX5

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 18 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
CN-1211385-C Bicyclic imidazo-5-yl-amine derivs. GRUENENTHAL GMBH (DE) 2005-07-20 CN 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
CN-1402726-A Bicyclic imidazo-5-yl-amine derivs. GRUENENTHAL GMBH (DE) 2003-03-12 CN 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
CN-1211385-C Bicyclic imidazo-5-yl-amine derivs. GRUENENTHAL GMBH (DE) 2005-07-20 CN 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
CN-1402726-A Bicyclic imidazo-5-yl-amine derivs. GRUENENTHAL GMBH (DE) 2003-03-12 CN 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 ROCK2 4798/4885PIM1 4103/4885KDR 4693/4885
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 ROCK2 4798/4885PIM1 4103/4885KDR 4693/4885

“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.