SCHEMBL6517899

SCHEMBL6517899

N#Cc1ccc(-n2cc3c(CO)cccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.49
MAPKAPK2 P49137 1/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE10A Q9Y233 1/20 0.38
SCN9A Q15858 4/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
MERTK Q12866 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL6521846 0.80 NOTUM (0.46) NOTUMMAPKAPK2KDM4EUSP2ALDH1A1
SCHEMBL6526880 0.78 NPSR1 (0.41) NOTUMALDH1A1MAPTNPSR1PDE10A
SCHEMBL6525311 0.77 MAPKAPK2 (0.35) NOTUMMAPKAPK2PDE10ASCN9AKMT2A
SCHEMBL3411577 0.75 MAPT (0.43) MAPKAPK2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL543413 0.70 ATM (0.41) KDM4EUSP2ALDH1A1MAPTHPGD
SCHEMBL543484 0.69 ATM (0.40) KDM4EUSP2ALDH1A1MAPTHPGD
SCHEMBL1549833 0.69 NOTUM (0.55) NOTUMMAPKAPK2SCN9ACYP11B1CYP11B2
SCHEMBL5149971 0.68 NOTUM (0.62) NOTUMMAPKAPK2KDM4EALDH1A1MAPT
SCHEMBL12787112 0.68 ADORA3 (0.48) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL23451495 0.66 NOTUM (1.00) NOTUMKDM4EMAPT

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 3878/4885MAPKAPK2 2152/4885KDM4E 3834/4885

“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.