SCHEMBL5113469

SCHEMBL5113469

Cc1cccnc1C#Cc1ccc(-c2nc3ccccn3c2NC(C)(C)C)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.48
GAA P10253 6/20 0.48
MAPT P10636 4/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PKLR P30613 1/20 0.45
TOP2A P11388 1/20 0.42
BRD4 O60885 1/20 0.42
TRIM24 O15164 1/20 0.42
SALL4 Q9UJQ4 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GFER P55789 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Hydrochloric Acid SCHEMBL5116490 0.99 ADRA1B (0.47) ADRA1BGAAMAPTTP53PKM
SCHEMBL5127515 0.90 ADRA1B (0.47) ADRA1BGAAMAPTTP53PKM
SCHEMBL5263701 0.90 ADRA1B (0.47) ADRA1BGAAMAPTTP53PKM
Hydrochloric Acid SCHEMBL5118053 0.89 ADRA1B (0.47) ADRA1BGAAMAPTTP53PKM
SCHEMBL5116478 0.89 SALL4 (0.44) ADRA1BGAAMAPTTP53PKM
SCHEMBL5123018 0.88 ADRA1B (0.46) ADRA1BGAAMAPTTP53PKM
SCHEMBL5263543 0.87 ADRA1B (0.53) ADRA1BGAAMAPTTP53PKM
Hydrochloric Acid SCHEMBL5129005 0.86 ADRA1B (0.52) ADRA1BGAAMAPTTP53PKM
SCHEMBL5118071 0.85 ADRA1B (0.51) ADRA1BGAAMAPTTP53PKM
Hydrochloric Acid SCHEMBL5127777 0.85 ADRA1B (0.50) ADRA1BGAAMAPTTP53PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 609/4885GAA 234/4885MAPT 707/4885

“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.