SCHEMBL4489179

SCHEMBL4489179

Cc1cc(C)n2c(NC(C)(C)CC(C)(C)C)c(-c3ccsc3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.67
GAA P10253 11/20 0.47
MAPT P10636 6/20 0.47
TP53 P04637 5/20 0.47
PKLR P30613 1/20 0.47
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
NR1H4 Q96RI1 1/20 0.40
IDO1 P14902 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GFER P55789 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
Hydrochloric Acid SCHEMBL4481605 0.99 CREBBP (0.66) CREBBPGAAMAPTTP53PKLR
SCHEMBL5165749 0.85 CREBBP (0.74) CREBBPGAAMAPTTP53POLB
SCHEMBL5166834 0.85 CREBBP (0.81) CREBBPGAAMAPTTP53PKLR
SCHEMBL5169235 0.84 CREBBP (0.76) CREBBPGAAMAPTTP53PKLR
SCHEMBL4491484 0.83 GAA (0.61) CREBBPGAAMAPTTP53PKLR
Hydrochloric Acid SCHEMBL4503797 0.82 GAA (0.60) CREBBPGAAMAPTTP53PKLR
SCHEMBL20642102 0.80 CREBBP (1.00) CREBBPGAAMAPTTP53PKLR
SCHEMBL5168350 0.80 CREBBP (0.66) CREBBPGAAMAPTTP53PKLR
Hydrochloric Acid SCHEMBL5167981 0.80 CREBBP (0.66) CREBBPGAAMAPTTP53PKLR
SCHEMBL5167944 0.80 CREBBP (0.66) CREBBPGAAMAPTTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592351-B2 Substituted imidazo[1,2-a]pyridine compounds and pharmaceutical preparations containing substituted imidazo[1,2-a]pyridine compounds GRUENENTHAL GMBH (DE) 2009-09-22 US claimed
US-20070099896-A1 Substituted imidazo[1,2-a]pyridine compounds and pharmaceutical preparations containing substituted imidazo[1,2-a]pyridine compounds GRUENENTHAL GMBH (DE) 2007-05-03 US claimed
EP-1756105-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AND DRUGS CONTAINING SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE COMPOUNDS Grünenthal GmbH (DE) 2007-02-28 EP claimed
WO-2005105798-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AND DRUGS CONTAINING SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed
US-7592351-B2 Substituted imidazo[1,2-a]pyridine compounds and pharmaceutical preparations containing substituted imidazo[1,2-a]pyridine compounds GRUENENTHAL GMBH (DE) 2009-09-22 US disclosed
US-20070099896-A1 Substituted imidazo[1,2-a]pyridine compounds and pharmaceutical preparations containing substituted imidazo[1,2-a]pyridine compounds GRUENENTHAL GMBH (DE) 2007-05-03 US disclosed
EP-1756105-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AND DRUGS CONTAINING SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE COMPOUNDS Grünenthal GmbH (DE) 2007-02-28 EP disclosed
WO-2005105798-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AND DRUGS CONTAINING SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO disclosed
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP disclosed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 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-20070099896-A1 Substituted imidazo[1,2-a]pyridine compounds and pharmaceutical preparations containing substituted imidazo[1,2-a]pyridine compounds GIPR, CHUK, ITPA CREBBP 968/4885GAA 506/4885MAPT 1958/4885

“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.