SCHEMBL6521846

SCHEMBL6521846

N#Cc1ccc(-n2cc3c(CO)cc(F)cc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
AR P10275 5/20 0.37
MAPKAPK2 P49137 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
SCN9A Q15858 4/20 0.35
MIF P14174 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PGR P06401 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
SCHEMBL6517899 0.80 NOTUM (0.49) NOTUMMAPKAPK2KDM4ESCN9AUSP2
SCHEMBL3432748 0.80 PARP1 (0.37) NOTUMNPSR1
SCHEMBL6524057 0.79 AR (0.34) NOTUMARMAPKAPK2KDM4ETP53
SCHEMBL3413163 0.76 CA12 (0.41) MAPKAPK2KDM4ETP53CA1CA2
SCHEMBL1549833 0.66 NOTUM (0.55) NOTUMARMAPKAPK2SCN9ACYP11B1
SCHEMBL5149971 0.65 NOTUM (0.62) NOTUMARMAPKAPK2KDM4ECA1
SCHEMBL2263125 0.65 PARP1 (0.67)
SCHEMBL6526880 0.65 NPSR1 (0.41) NOTUMALDH1A1MAPTNPSR1
SCHEMBL23451495 0.63 NOTUM (1.00) NOTUMKDM4ECA1CA2CA9
SCHEMBL8157286 0.62 CA2 (0.43) NOTUMARCA1CA2CA9

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-8362030-B2 Tricyclic derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-01-29 US disclosed
US-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2011-03-03 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-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP11 NOTUM 3878/4885AR 1529/4885MAPKAPK2 2152/4885

“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.