SCHEMBL5117938

SCHEMBL5117938

CCCCC(C)(C)Nc1c(-c2cc(C#Cc3ccccc3)cs2)nc2cnccn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.39
ALDH1A1 P00352 4/20 0.39
GFER P55789 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SALL4 Q9UJQ4 1/20 0.39
CDK9 P50750 1/20 0.38
KDM4E B2RXH2 4/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
BRAF P15056 2/20 0.35
BRD4 O60885 3/20 0.35
TAF1 P21675 1/20 0.35
TAF1L Q8IZX4 1/20 0.35

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
SCHEMBL5125219 0.95 GAA (0.40) GAAALDH1A1GFERMEN1KMT2A
SCHEMBL5113455 0.87 SALL4 (0.50) GAAALDH1A1GFERMEN1KMT2A
SCHEMBL5113389 0.86 BRD4 (0.48) GAAALDH1A1SALL4CDK9KDM4E
SCHEMBL5122353 0.84 ADRA1B (0.44) GAAALDH1A1GFERMEN1KMT2A
SCHEMBL5115100 0.82 SALL4 (0.40) GAAALDH1A1GFERMEN1KMT2A
SCHEMBL5112959 0.78 CDK9 (0.50) GAAALDH1A1POLBSALL4CDK9
SCHEMBL5112885 0.78 BRD4 (0.51) GAAALDH1A1GFERMEN1KMT2A
SCHEMBL5125223 0.76 GAA (0.49) GAAALDH1A1GFERMEN1KMT2A
SCHEMBL5120684 0.76 GAA (0.53) GAAALDH1A1GFERMEN1KMT2A
SCHEMBL5122237 0.75 CDK9 (0.45) GAAALDH1A1POLBSALL4CDK9

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 2777/4885GFER 3958/4885

“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.