SCHEMBL4757121

SCHEMBL4757121

O=c1cc(Cl)c2ncccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.49
PDPK1 O15530 1/20 0.46
PKM P14618 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 1/20 0.41
GRM4 Q14833 3/20 0.40
DAO P14920 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
KIF11 P52732 1/20 0.40
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNMA1 Q12791 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15B O15296 1/20 0.39
NR1I2 O75469 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
SCHEMBL4754656 0.79 KDM4E (0.53) PARP1PKMKDM4EADORA3ADORA2A
SCHEMBL18238034 0.75 PARP1 (0.45) PARP1KDM4EADORA3ADORA2AADORA1
SCHEMBL17781102 0.75 PDE2A (0.46) PARP1KDM4EDAOL3MBTL1ALDH1A1
SCHEMBL31298171 0.73 PARP1 (0.49) PARP1KDM4E
SCHEMBL2359356 0.73 PSMB8 (0.45) PARP1ADORA3ADORA2AADORA1DAO
SCHEMBL29650339 0.73 PSMB8 (0.45) PARP1ADORA3ADORA2AADORA1DAO
SCHEMBL829772 0.71 AURKA (0.51) PARP1KDM4EADORA2AADORA1GRM4
SCHEMBL12396542 0.71 PARP1 (0.55) PARP1KDM4EADORA3ADORA2AADORA1
SCHEMBL30322789 0.71 PARP1 (0.55) PARP1KDM4EADORA3ADORA2AADORA1
SCHEMBL19100792 0.69 GRM4 (0.54) PARP1KDM4EGRM4CCR1CCR8

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
EP-1996553-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2008-12-03 EP disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 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-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 PARP1 4591/4885PDPK1 4018/4885PKM 4310/4885

“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.