SCHEMBL3434016

SCHEMBL3434016

COC(=O)c1cc(F)cc2nn(-c3ccc(C#N)cc3)c(CC=O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
MAPK14 Q16539 1/20 0.35
AR P10275 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
SLC34A1 Q06495 2/20 0.34
SLC2A1 P11166 3/20 0.34
SLC2A3 P11169 3/20 0.34
SLC2A4 P14672 3/20 0.34
SLC2A2 P11168 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NTRK1 P04629 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
SCHEMBL6515904 0.86 CYP11B1 (0.35) KDM4EKDM5AKDM5BARCYP11B1
SCHEMBL3412105 0.83 KDM4E (0.39) KDM4ELMNAHTTKDM5AKDM5B
SCHEMBL3416155 0.80 KDM4E (0.39) KDM4ELMNAHTTKDM5AKDM5B
SCHEMBL3416157 0.80 KDM4E (0.39) KDM4ELMNAHTTKDM5AKDM5B
SCHEMBL3411955 0.78 HTR2A (0.38) TP53THRBTDP1MEN1KMT2A
SCHEMBL3413163 0.73 CA12 (0.41) KDM4ELMNAHTTTP53THRB
SCHEMBL3416714 0.68 CYP11B1 (0.36) KDM4ECYP11B1CYP11B2EGLN2TDP1
SCHEMBL3416525 0.67 CYP11B1 (0.35) KDM4ELMNAHTTTP53CYP11B1
SCHEMBL3416520 0.67 CYP11B1 (0.35) KDM4ELMNAHTTTP53CYP11B1
SCHEMBL4308928 0.67 AR (0.53) KDM4ELMNAHTTARSLC34A1

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 KDM4E 3834/4885LMNA 504/4885HTT 789/4885

“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.