SCHEMBL4908247

SCHEMBL4908247

COc1cccc(CNC(=O)c2ccnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)nc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.52
ROCK2 O75116 6/20 0.52
PARP1 P09874 2/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADORA2A P29274 1/20 0.47
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
CHRM3 P20309 1/20 0.46
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
CASP3 P42574 1/20 0.44
CDK9 P50750 1/20 0.44
CASP7 P55210 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL3632162 0.82 ERCC1 (0.51) PARP1TSHRLMNACDK1CDK2
Hydrochloric Acid SCHEMBL3635395 0.82 ERCC1 (0.51) PARP1TSHRLMNACDK1CDK2
SCHEMBL4910524 0.82 PARP1 (0.55) PARP1SMN1; SMN2CDK1CDK2CASP3
SCHEMBL14022310 0.80 PARP1 (0.53) PARP1ADORA2ACHRM3
Hydrochloric Acid SCHEMBL4908440 0.79 PARP1 (0.52) PARP1ADORA2ACHRM3
SCHEMBL4900691 0.79 PARP1 (0.57) PARP1CDK1CDK2CASP3CDK9
SCHEMBL3945101 0.77 PARP1 (0.51) PARP1TSHRLMNATP53NPC1
SCHEMBL14027853 0.76 SMN1; SMN2 (0.55) PARP1TSHRSMN1; SMN2CDK1CDK2
SCHEMBL4909011 0.76 KDM4E (0.57) PARP1NPC1RAB9ASMN1; SMN2CDK1
SCHEMBL4157684 0.76 GSK3B (0.50) ROCK1ROCK2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US claimed
WO-2010088574-A1 AZABENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-08-05 WO disclosed
US-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US 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-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders GSK3B, PYGB, GSK3A ROCK1 293/4885ROCK2 435/4885PARP1 1353/4885

“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.