SCHEMBL3414060

SCHEMBL3414060

COC(=O)c1cc(F)cc2nn(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)c(CCNCc3ccc(OC)cc3OC)c12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
DPP7 Q9UHL4 1/20 0.39
PDE4B Q07343 1/20 0.38
TP53 P04637 5/20 0.37
P2RX3 P56373 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6524011 0.95 MAPT (0.48) MAPTDPP7PDE4BTP53P2RX3
SCHEMBL6517975 0.83 POLB (0.40) MAPTPDE4BTP53LMNATHRB
SCHEMBL6523422 0.80 POLB (0.42) MAPTPDE4BTP53LMNATHRB
SCHEMBL3411955 0.79 HTR2A (0.38) MAPTDPP7TP53THRB
SCHEMBL3434006 0.76 POLB (0.38) MAPTPDE4BTP53LMNATHRB
SCHEMBL3434005 0.76 POLB (0.38) MAPTPDE4BTP53LMNATHRB
SCHEMBL6519249 0.73 PDE4B (0.42) MAPTPDE4BTP53LMNATHRB
SCHEMBL3411891 0.69 CYP1A2 (0.42) DPP7TP53LMNATHRB
SCHEMBL6522412 0.69 KMT2A (0.42) MAPTLMNASMN1; SMN2
SCHEMBL29475918 0.67 ADORA2A (0.58)

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 73/4885DPP7 982/4885PDE4B 4172/4885

“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.