SCHEMBL6515904

SCHEMBL6515904

COC(=O)c1cccc2nn(-c3ccc(C#N)cc3)c(CC=O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EGLN2 Q96KS0 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR3C1 P04150 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
AR P10275 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB1 P08183 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3434016 0.86 KDM4E (0.38) CYP11B1CYP11B2KDM5AKDM5BNTRK1
SCHEMBL3416714 0.82 CYP11B1 (0.36) CYP11B1CYP11B2NTRK1NTRK2KDM4E
SCHEMBL3416525 0.79 CYP11B1 (0.35) CYP11B1CYP11B2NTRK1NTRK2KDM4E
SCHEMBL3416520 0.79 CYP11B1 (0.35) CYP11B1CYP11B2NTRK1NTRK2KDM4E
SCHEMBL3411891 0.77 CYP1A2 (0.42) MEN1KMT2AALDH1A1HSD17B10
SCHEMBL3411577 0.70 MAPT (0.43) CYP11B1CYP11B2KDM4EMEN1KMT2A
SCHEMBL29163887 0.70 PTGER4 (0.43) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3412105 0.67 KDM4E (0.39) CYP11B1CYP11B2KDM5AKDM5BKDM4E
SCHEMBL3416155 0.66 KDM4E (0.39) CYP11B1CYP11B2KDM5AKDM5BKDM4E
SCHEMBL3416157 0.66 KDM4E (0.39) CYP11B1CYP11B2KDM5AKDM5BKDM4E

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 CYP11B1 2573/4885CYP11B2 3175/4885KDM5A 2763/4885

“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.