SCHEMBL4718062

SCHEMBL4718062

CC(C)(C)Nc1c(-c2cccc3ccccc23)nc2nc[nH]n12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
KDM5B Q9UGL1 13/20 0.41
RIPK2 O43353 1/20 0.37
PRKD3 O94806 1/20 0.37
ABL1 P00519 1/20 0.37
FYN P06241 1/20 0.37
SRC P12931 1/20 0.37
CDK2 P24941 1/20 0.37
CSK P41240 1/20 0.37
MAPK8 P45983 1/20 0.37
CSNK1D P48730 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKD1 Q15139 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
ALOX15 P16050 1/20 0.36
TRIM24 O15164 1/20 0.36
SALL4 Q9UJQ4 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
MAPT P10636 3/20 0.35

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
SCHEMBL4718067 1.00 ALDH1A1 (0.44) ALDH1A1KDM5BRIPK2PRKD3ABL1
SCHEMBL4715415 0.85 KDM5B (0.40) KDM5BMAPTTP53SMN1; SMN2
SCHEMBL4718874 0.84 KDM5B (0.56) KDM5BMAPTTP53SMN1; SMN2
SCHEMBL4715254 0.82 KDM5B (0.46) ALDH1A1KDM5BCSNK1DMAPTTP53
SCHEMBL4715600 0.79 MAPT (0.42) ALDH1A1KDM5BABL1SRCMAPT
SCHEMBL4715605 0.79 MAPT (0.42) ALDH1A1KDM5BABL1SRCMAPT
SCHEMBL4717238 0.76 KDM5B (0.41) KDM5BMAPTTP53SMN1; SMN2
SCHEMBL4717240 0.76 KDM5B (0.41) KDM5BMAPTTP53SMN1; SMN2
SCHEMBL4714965 0.74 KDM5B (0.53) KDM5BMAPTTP53SMN1; SMN2
SCHEMBL4717295 0.74 KDM5B (0.49) ALDH1A1KDM5BCDK2ALOX15MAPT

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 9 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

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 1313/4885KDM5B 968/4885RIPK2 4780/4885
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 ALDH1A1 1313/4885KDM5B 968/4885RIPK2 4780/4885

“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.