SCHEMBL5129233

SCHEMBL5129233

CC(C)(C)CC(C)(C)Nc1c(-c2ccc(C#Cc3ccccc3)nc2)nc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.49
IDO1 P14902 1/20 0.46
TOP2A P11388 1/20 0.45
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BACE1 P56817 5/20 0.41
BACE2 Q9Y5Z0 5/20 0.41
BRD4 O60885 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NTRK1 P04629 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL5124542 0.89 ADRA1B (0.63) ADRA1BIDO1TOP2ABACE1BACE2
SCHEMBL5116595 0.87 IDO1 (0.45) IDO1POLBTP53MAPTALDH1A1
SCHEMBL5118408 0.82 ADRA1B (0.47) ADRA1BIDO1TOP2APOLBTP53
SCHEMBL998603 0.81 ADRA1B (0.73) ADRA1BIDO1TOP2APOLBTP53
SCHEMBL5122346 0.81 PTGS2 (0.53) ADRA1BTP53MAPTALDH1A1GAA
SCHEMBL5120431 0.79 ADRA1B (0.47) ADRA1BIDO1POLBTP53MAPT
SCHEMBL5122743 0.78 BRD4 (0.55) ADRA1BTOP2APOLBTP53MAPT
SCHEMBL5121648 0.78 ADRA1B (0.45) ADRA1BIDO1TOP2APOLBTP53
SCHEMBL5114935 0.77 ADRA1B (0.45) ADRA1BIDO1TOP2AALDH1A1GAA
SCHEMBL997742 0.77 GAA (0.59) ADRA1BIDO1TOP2APOLBTP53

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 ADRA1B 609/4885IDO1 55/4885TOP2A 2972/4885

“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.