Sugi Predict

Sugi Predict / Compounds / SCHEMBL5113631

SCHEMBL5113631

SCHEMBL5113631

CC(C)(C)Nc1c(-c2ccc(C#Cc3cccc(C=O)c3)s2)nc2cnccn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SALL4 Q9UJQ4 1/20 0.42
▸ BRD4 O60885 5/20 0.40
▸ TAF1 P21675 1/20 0.40
▸ TAF1L Q8IZX4 1/20 0.40
▸ GAA P10253 6/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ GFER P55789 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HDAC4 P56524 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADRA1B P35368 1/20 0.33
▸ TRPA1 O75762 3/20 0.33
▸ MAPT P10636 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33

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
SCHEMBL5119120 0.92 SALL4 (0.42) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5127262 0.88 SALL4 (0.46) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5263475 0.87 SALL4 (0.44) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5130054 0.87 SALL4 (0.48) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5265123 0.87 TRPA1 (0.44) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5266395 0.87 SALL4 (0.44) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5127402 0.86 SALL4 (0.50) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5265076 0.86 SALL4 (0.43) SALL4BRD4TAF1TAF1LGAA
Hydrochloric Acid SCHEMBL5118940 0.86 TRPA1 (0.43) SALL4BRD4TAF1TAF1LGAA
SCHEMBL5263467 0.86 SALL4 (0.45) SALL4BRD4TAF1TAF1LGAA

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 9 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
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 — — EP claimed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 — — WO 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 SALL4 1775/4885BRD4 83/4885TAF1 4480/4885

“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.