SCHEMBL5118664

SCHEMBL5118664

CC(C)(C)CC(C)(C)Nc1c(-c2ccc(C#Cc3ccccn3)s2)nc2ccccn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
GAA P10253 7/20 0.40
TP53 P04637 3/20 0.40
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKLR P30613 1/20 0.40
ADRA1B P35368 1/20 0.40
IDO1 P14902 1/20 0.38
POLB P06746 2/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 3/20 0.36
GFER P55789 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5127776 0.90 GAA (0.47) MAPTGAATP53IDO1POLB
SCHEMBL5118071 0.90 ADRA1B (0.51) MAPTGAATP53PKMSMN1; SMN2
SCHEMBL5127401 0.90 GAA (0.45) MAPTGAATP53SMN1; SMN2IDO1
SCHEMBL5122532 0.89 GAA (0.43) MAPTGAATP53PKMIDO1
Hydrochloric Acid SCHEMBL5127777 0.89 ADRA1B (0.50) MAPTGAATP53PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL5116906 0.89 ADRA1B (0.50) MAPTGAATP53PKMSMN1; SMN2
SCHEMBL5120714 0.89 MAPT (0.51) MAPTGAATP53SMN1; SMN2POLB
SCHEMBL5123200 0.88 NR1H4 (0.41) MAPTGAATP53SMN1; SMN2IDO1
SCHEMBL5129329 0.87 CREBBP (0.36) MAPTGAATP53SMN1; SMN2IDO1
SCHEMBL5121648 0.87 ADRA1B (0.45) MAPTGAATP53PKMSMN1; SMN2

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 MAPT 707/4885GAA 234/4885TP53 2432/4885

“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.