SCHEMBL3411577

SCHEMBL3411577

COC(=O)c1cccc2nn(-c3ccc(C#N)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 4/20 0.40
ADORA3 P0DMS8 6/20 0.40
ADORA1 P30542 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 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
SCHEMBL6526880 0.85 NPSR1 (0.41) MAPTALDH1A1ADORA3ADORA1SMN1; SMN2
SCHEMBL3413163 0.83 CA12 (0.41) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL16568855 0.77 MAPK1 (0.55) MAPTALDH1A1ADORA3KMT2AMEN1
SCHEMBL6517899 0.75 NOTUM (0.49) MAPTALDH1A1ADORA3KMT2AMEN1
SCHEMBL3416714 0.74 CYP11B1 (0.36) ALDH1A1KMT2AMEN1L3MBTL1CYP11B1
SCHEMBL543378 0.74 NR4A2 (0.45) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL25362929 0.73 KDM4E (0.44) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6515904 0.70 CYP11B1 (0.35) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3432748 0.70 PARP1 (0.37) PARP1
SCHEMBL23928637 0.70 CA12 (0.62) MAPTALDH1A1KMT2AMEN1L3MBTL1

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 MAPT 73/4885ALDH1A1 305/4885ADORA3 1467/4885

“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.