SCHEMBL5117981

SCHEMBL5117981

CC(C)(C)Nc1c(-c2ccc(C#Cc3ccccn3)cc2)nc2ccc(Cl)cn12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
TOP2A P11388 2/20 0.60
TRPA1 O75762 6/20 0.56
BACE1 P56817 3/20 0.54
BRD4 O60885 2/20 0.53
ADRA1B P35368 1/20 0.45
GAA P10253 5/20 0.45
TP53 P04637 4/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5115147 0.86 ADRA1B (0.63) TOP2ABACE1BRD4ADRA1B
SCHEMBL5120661 0.85 GAA (0.54) MAPTALDH1A1MEN1KMT2ATOP2A
SCHEMBL5116598 0.83 MAPT (0.48) MAPTALDH1A1MEN1KMT2ATOP2A
SCHEMBL5114996 0.82 MAPT (0.48) MAPTALDH1A1MEN1KMT2ATOP2A
SCHEMBL5116820 0.81 BRD4 (0.54) MAPTALDH1A1MEN1KMT2ATOP2A
SCHEMBL5120656 0.81 ALOX5 (0.60) MAPTALDH1A1TRPA1BACE1GAA
SCHEMBL5130378 0.80 BACE1 (0.55) MAPTALDH1A1MEN1KMT2ATOP2A
SCHEMBL5114294 0.80 TRPA1 (0.57) MAPTALDH1A1MEN1KMT2ATOP2A
SCHEMBL1252704 0.78 IDO1 (0.43) TOP2ABACE1BRD4ADRA1B
SCHEMBL5129215 0.78 ADRA1B (0.45) MAPTALDH1A1TOP2ATRPA1BACE1

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 MAPT 707/4885ALDH1A1 2777/4885MEN1 1791/4885

“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.