SCHEMBL5115598

SCHEMBL5115598

CC(C)(C)CC(C)(C)Nc1c(-c2cccc(C#Cc3ccccn3)c2)nc2cnccn12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GFER P55789 1/20 0.57
POLB P06746 1/20 0.57
BRAF P15056 2/20 0.40
IDO1 P14902 1/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 4/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40

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
SCHEMBL5118408 0.90 ADRA1B (0.47) GAAALDH1A1MEN1KMT2AGFER
SCHEMBL5117161 0.90 SALL4 (0.48) GAAALDH1A1MEN1KMT2AGFER
SCHEMBL5117154 0.85 GAA (0.42) GAAALDH1A1MEN1KMT2AGFER
SCHEMBL5114294 0.84 TRPA1 (0.57) GAAALDH1A1MEN1KMT2AGFER
SCHEMBL5127788 0.82 GAA (0.56) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL5121858 0.82 GAA (0.47) GAAALDH1A1MEN1KMT2AGFER
SCHEMBL5127776 0.81 GAA (0.47) GAAALDH1A1MEN1KMT2AGFER
SCHEMBL5120431 0.80 ADRA1B (0.47) GAAALDH1A1MEN1KMT2AGFER
SCHEMBL5117290 0.80 BRD4 (0.50) GAAALDH1A1MEN1KMT2AGFER
SCHEMBL5114519 0.80 ADRA1B (0.60) SALL4BRD4HDAC4HDAC5TRPA1

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 5 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
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

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 GAA 234/4885ALDH1A1 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.