SCHEMBL3548954

SCHEMBL3548954

N#Cc1ccc(Cc2c[nH]c(=O)c3cccn23)cc1F

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.52
PARP1 P09874 11/20 0.52
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
MET P08581 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
ADORA2A P29274 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL3552145 0.77 PARP1 (0.67) PARP1
SCHEMBL3550288 0.74 PARP1 (0.55) DAOPARP1
SCHEMBL3554791 0.73 PARP1 (0.55) DAOPARP1
SCHEMBL13034580 0.71 PARP1 (0.45) DAOPARP1
SCHEMBL13034581 0.70 PARP1 (0.48) PARP1
SCHEMBL2532759 0.70 PIK3CD (0.45) DAOPARP1METKDM4EHPGD
SCHEMBL24872449 0.69 TRPV4 (0.61) DAOKCNJ1KCNH2TRPV4
SCHEMBL3551783 0.69 PARP1 (0.61) PARP1KCNH2
SCHEMBL3557748 0.69 PARP1 (0.78) PARP1
SCHEMBL24214484 0.69 DAO (1.00) DAOKCNJ1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834015-B2 treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, neurodegenerative diseases, retroviral infections, retinal damage, skin senescence and UV skin damage, and as chemosensitizers or radiosensitizers for cancer treatment INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-11-16 US disclosed
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-08-20 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-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) PARP1, PARP2, PARP11 DAO 1796/4885PARP1 1/4885KCNJ1 3132/4885

“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.