SCHEMBL3416714

SCHEMBL3416714

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR3C1 P04150 1/20 0.35
F2 P00734 1/20 0.35
EGLN2 Q96KS0 2/20 0.35
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
MPO P05164 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3412105 0.84 KDM4E (0.39) CYP11B1CYP11B2TDP1L3MBTL1EGLN2
SCHEMBL6515904 0.82 CYP11B1 (0.35) CYP11B1CYP11B2TDP1L3MBTL1NR3C1
SCHEMBL3416525 0.79 CYP11B1 (0.35) CYP11B1CYP11B2L3MBTL1NTRK1NTRK2
SCHEMBL3416520 0.79 CYP11B1 (0.35) CYP11B1CYP11B2L3MBTL1NTRK1NTRK2
SCHEMBL3411577 0.74 MAPT (0.43) CYP11B1CYP11B2L3MBTL1KDM4EKMT2A
SCHEMBL29629565 0.74 ALDH1A1 (0.45) CYP11B1CYP11B2TDP1L3MBTL1KDM4E
SCHEMBL3411891 0.73 CYP1A2 (0.42) KMT2APARP1ALDH1A1MEN1
SCHEMBL25329875 0.69 MEN1 (0.39) CYP11B1CYP11B2F2EGLN2NTRK1
SCHEMBL29629508 0.69 ALDH1A1 (0.42) CYP11B1CYP11B2EGLN2KDM4EKMT2A
SCHEMBL3434016 0.68 KDM4E (0.38) CYP11B1CYP11B2TDP1L3MBTL1EGLN2

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 4 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
EP-2265611-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-12-29 EP disclosed
WO-2009112832-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-09-17 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-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP11 CYP11B1 2573/4885CYP11B2 3175/4885IDO1 1490/4885

“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.