SCHEMBL4495362

SCHEMBL4495362

CCCCCCCC(C)(C)Nc1c(-c2ccoc2)nc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.50
TOP2A P11388 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
BRD4 O60885 1/20 0.43
ATM Q13315 3/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
BACE1 P56817 3/20 0.41
BACE2 Q9Y5Z0 3/20 0.41
TRIM24 O15164 1/20 0.39
SALL4 Q9UJQ4 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
CDK9 P50750 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 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
Hydrochloric Acid SCHEMBL4481512 0.99 ADRA1B (0.49) ADRA1BTOP2ANR1H4BRD4ATM
SCHEMBL4487260 0.99 ADRA1B (0.51) ADRA1BTOP2ANR1H4BRD4ATM
Hydrochloric Acid SCHEMBL4481904 0.98 ADRA1B (0.50) ADRA1BTOP2ANR1H4BRD4ATM
SCHEMBL4484464 0.87 PKM (0.42) NR1H4ATMBACE1CDK9KDM4E
SCHEMBL4489731 0.87 PKM (0.42) NR1H4ATMBACE1CDK9KDM4E
Hydrochloric Acid SCHEMBL4500761 0.86 PKM (0.41) NR1H4ATMBACE1CDK9KDM4E
Hydrochloric Acid SCHEMBL4496610 0.86 PKM (0.41) NR1H4ATMBACE1CDK9KDM4E
SCHEMBL4484687 0.86 PKM (0.42) ADRA1BNR1H4ATMBACE1CDK9
Hydrochloric Acid SCHEMBL4484479 0.85 PKM (0.42) ADRA1BNR1H4ATMBACE1CDK9
SCHEMBL4482506 0.84 NR1H4 (0.57) NR1H4BRD4ATMKDM4EALDH1A1

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 8 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

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 ADRA1B 314/4885TOP2A 2447/4885NR1H4 2925/4885

“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.