SCHEMBL14022305

SCHEMBL14022305

COCCCNC(=O)c1ccnc2[nH]c(-c3ccc(CN4CCCCC4)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.47
HDAC6 Q9UBN7 1/20 0.42
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
LMNA P02545 2/20 0.41
DHODH Q02127 2/20 0.40
MCHR1 Q99705 1/20 0.40
GSK3B P49841 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.39
AURKA O14965 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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 SCHEMBL4908850 0.99 PARP1 (0.47) PARP1HDAC6ERCC1FEN1ERCC4
SCHEMBL3632162 0.91 ERCC1 (0.51) PARP1HDAC6ERCC1FEN1ERCC4
Hydrochloric Acid SCHEMBL3635395 0.91 ERCC1 (0.51) PARP1HDAC6ERCC1FEN1ERCC4
SCHEMBL14022304 0.91 JAK2 (0.43) PARP1HDAC6ERCC1FEN1ERCC4
Hydrochloric Acid SCHEMBL4911634 0.90 PARP1 (0.40) PARP1HDAC6ERCC1FEN1ERCC4
Hydrochloric Acid SCHEMBL4911629 0.90 JAK2 (0.43) PARP1HDAC6ERCC1FEN1ERCC4
SCHEMBL14022301 0.83 CCNE2 (0.50) LMNAGSK3BTP53KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4911054 0.83 CCNE2 (0.49) LMNAGSK3BTP53KDM4EALDH1A1
SCHEMBL14022315 0.82 PARP1 (0.53) PARP1LMNATP53
SCHEMBL14022278 0.82 TP53 (0.52) LMNAGSK3BTP53KMT2AKDM4E

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 3 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 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
WO-2007040439-A1 NEW COMPOUNDS II ASTRAZENECA AB (SE) 2007-04-12 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-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 PARP1 1353/4885HDAC6 883/4885ERCC1 4612/4885

“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.