SCHEMBL4491189

SCHEMBL4491189

CC(C)(C)CC(C)(C)Nc1c(-c2ccsc2)nc2ccccn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.59
MAPT P10636 5/20 0.59
TP53 P04637 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ADRA1B P35368 1/20 0.54
IDO1 P14902 2/20 0.53
POLB P06746 2/20 0.47
TOP2A P11388 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
BACE1 P56817 2/20 0.43
BACE2 Q9Y5Z0 2/20 0.43
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GFER P55789 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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 SCHEMBL4494976 0.99 GAA (0.58) GAAMAPTTP53SMN1; SMN2ADRA1B
SCHEMBL998603 0.86 ADRA1B (0.73) GAAMAPTTP53ADRA1BIDO1
SCHEMBL12394866 0.85 GAA (0.55) GAAMAPTTP53SMN1; SMN2ADRA1B
SCHEMBL4491156 0.85 GAA (0.55) GAAMAPTTP53SMN1; SMN2ADRA1B
SCHEMBL4491484 0.84 GAA (0.61) GAAMAPTTP53SMN1; SMN2IDO1
Hydrochloric Acid SCHEMBL4503824 0.84 GAA (0.54) GAAMAPTTP53SMN1; SMN2ADRA1B
Hydrochloric Acid SCHEMBL4503797 0.84 GAA (0.60) GAAMAPTTP53SMN1; SMN2IDO1
SCHEMBL2992178 0.81 ADRA1B (0.60) GAAMAPTTP53ADRA1BIDO1
SCHEMBL997791 0.81 MAPT (0.70) GAAMAPTTP53ADRA1BIDO1
SCHEMBL4487879 0.81 ADRA1B (0.55) GAAMAPTTP53ADRA1BIDO1

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 11 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-7994187-B2 HIV inhibiting 3,4-dihydro-imidazo[4,5-B]pyridin-5-ones TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-09 US disclosed
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-20090170855-A1 HIV INHIBITING 3,4-DIHYDRO-IMIDAZO[4,5-B]PYRIDIN-5-ONES TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-07-02 US disclosed
WO-2007113290-A1 HIV INHIBITING 3,4-DIHYDRO-IMIDAZO[4,5-B]PYRIDIN-5-ONES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090170855-A1 HIV INHIBITING 3,4-DIHYDRO-IMIDAZO[4,5-B]PYRIDIN-5-ONES NR4A3, NR4A1, NR4A2 GAA 4764/4885MAPT 2616/4885TP53 2080/4885
US-20070099896-A1 Substituted imidazo[1,2-a]pyridine compounds and pharmaceutical preparations containing substituted imidazo[1,2-a]pyridine compounds GIPR, CHUK, ITPA GAA 506/4885MAPT 1958/4885TP53 456/4885

“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.