SCHEMBL4715524

SCHEMBL4715524

COc1ccccc1-c1nc2nc[nH]n2c1NC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
KDM5B Q9UGL1 7/20 0.38
TP53 P04637 2/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
POLB P06746 1/20 0.36
CXCR2 P25025 1/20 0.36

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
SCHEMBL4715520 1.00 ALDH1A1 (0.40) ALDH1A1MAPTKDM5BTP53CCNE2
SCHEMBL4715605 0.90 MAPT (0.42) ALDH1A1MAPTKDM5BTP53GAA
SCHEMBL4715600 0.90 MAPT (0.42) ALDH1A1MAPTKDM5BTP53GAA
SCHEMBL4718871 0.83 KDM5B (0.56) MAPTKDM5BTP53SMN1; SMN2
SCHEMBL4718874 0.83 KDM5B (0.56) MAPTKDM5BTP53SMN1; SMN2
SCHEMBL4718062 0.82 ALDH1A1 (0.44) ALDH1A1MAPTKDM5BTP53CDK2
SCHEMBL4719170 0.75 MAPT (0.42) ALDH1A1MAPTKDM5BTP53SMN1; SMN2
SCHEMBL4719162 0.75 MAPT (0.42) ALDH1A1MAPTKDM5BTP53SMN1; SMN2
SCHEMBL4717240 0.75 KDM5B (0.41) MAPTKDM5BTP53SMN1; SMN2CXCR2
SCHEMBL4717238 0.75 KDM5B (0.41) MAPTKDM5BTP53SMN1; SMN2CXCR2

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 11 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-6936631-B2 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2005-08-30 US claimed
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2004-02-05 US claimed
US-20020183320-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2002-12-05 US 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 ALDH1A1 1313/4885MAPT 3783/4885KDM5B 968/4885
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 ALDH1A1 1313/4885MAPT 3783/4885KDM5B 968/4885

“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.