SCHEMBL5129108

SCHEMBL5129108

Cc1ccc(C#Cc2ccc(-c3nc4cnccn4c3NC(C)(C)C)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.46
TAF1 P21675 1/20 0.46
TAF1L Q8IZX4 1/20 0.46
SALL4 Q9UJQ4 1/20 0.45
GAA P10253 10/20 0.44
MAPT P10636 9/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 7/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 6/20 0.41
GFER P55789 4/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
PKLR P30613 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL5118638 0.92 SALL4 (0.46) BRD4TAF1TAF1LSALL4GAA
SCHEMBL5127392 0.91 SALL4 (0.48) BRD4TAF1TAF1LSALL4GAA
SCHEMBL5113792 0.91 SALL4 (0.44) BRD4TAF1TAF1LSALL4GAA
SCHEMBL5265068 0.91 SALL4 (0.44) BRD4TAF1TAF1LSALL4GAA
SCHEMBL5264897 0.91 SALL4 (0.44) BRD4TAF1TAF1LSALL4GAA
SCHEMBL5127402 0.91 SALL4 (0.50) BRD4TAF1TAF1LSALL4GAA
Hydrochloric Acid SCHEMBL5123040 0.91 SALL4 (0.46) BRD4TAF1TAF1LSALL4GAA
Hydrochloric Acid SCHEMBL5123787 0.90 SALL4 (0.43) BRD4TAF1TAF1LSALL4GAA
Hydrochloric Acid SCHEMBL5127238 0.90 SALL4 (0.48) BRD4TAF1TAF1LSALL4GAA
Hydrochloric Acid SCHEMBL5121933 0.90 SALL4 (0.43) BRD4TAF1TAF1LSALL4GAA

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 7 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
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 BRD4 83/4885TAF1 4480/4885TAF1L 4586/4885

“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.