SCHEMBL5116595

SCHEMBL5116595

CC(C)(C)CC(C)(C)Nc1c(-c2ccc(C#Cc3ccccc3)nc2)nc2ncccn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
BRD4 O60885 1/20 0.42
GAA P10253 8/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GFER P55789 1/20 0.38
NTRK1 P04629 1/20 0.37
CDC7 O00311 2/20 0.37
ROCK2 O75116 2/20 0.37
MAP4K4 O95819 2/20 0.37
PIM1 P11309 2/20 0.37
PRKACA P17612 2/20 0.37
CDK2 P24941 2/20 0.37
GSK3B P49841 2/20 0.37
HIPK2 Q9H2X6 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37

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
SCHEMBL5129233 0.87 ADRA1B (0.49) IDO1BRD4GAAALDH1A1KDM4E
SCHEMBL5117154 0.84 GAA (0.42) IDO1BRD4GAAALDH1A1KDM4E
SCHEMBL5114372 0.80 GAA (0.43) IDO1BRD4GAAALDH1A1KDM4E
SCHEMBL5124542 0.75 ADRA1B (0.63) IDO1BRD4
SCHEMBL5122532 0.75 GAA (0.43) IDO1BRD4GAAALDH1A1KDM4E
SCHEMBL5118408 0.73 ADRA1B (0.47) IDO1BRD4GAAALDH1A1POLB
SCHEMBL5122743 0.73 BRD4 (0.55) BRD4GAAALDH1A1KDM4EPOLB
SCHEMBL5115598 0.71 GAA (0.57) IDO1BRD4GAAALDH1A1KDM4E
SCHEMBL6642778 0.71 BRD4 (0.41) IDO1BRD4GAAALDH1A1KDM4E
SCHEMBL5114935 0.70 ADRA1B (0.45) IDO1BRD4GAAALDH1A1KDM4E

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-1791840-B1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2013-11-27 EP claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US claimed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US claimed
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP claimed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 WO claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US disclosed
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP disclosed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 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 (1 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-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS IDO1 55/4885BRD4 83/4885GAA 234/4885

“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.