SCHEMBL3559852

SCHEMBL3559852

FC(F)(F)c1ccc(N2CCC[N]CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.54
▸ LMNA P02545 2/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 5/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ PKM P14618 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HTT P42858 2/20 0.47

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
SCHEMBL886818 0.94 KDM4E (0.57) KDM4ELMNAABL1POLBMAPT
SCHEMBL23207522 0.87 KDM4E (0.62) KDM4ELMNAABL1POLBMAPT
SCHEMBL30582921 0.85 KDM4E (0.60) KDM4ELMNAABL1POLBMAPT
SCHEMBL16238574 0.85 KDM4E (0.60) KDM4ELMNAABL1POLBMAPT
SCHEMBL30582924 0.80 KDM4E (0.55) KDM4ELMNAABL1POLBMAPT
SCHEMBL30582899 0.79 KDM4E (0.54) KDM4ELMNAABL1POLBMAPT
SCHEMBL18656568 0.78 KDM4E (0.60) KDM4ELMNAABL1POLBMAPT
SCHEMBL18656554 0.78 KDM4E (0.60) KDM4ELMNAABL1POLBMAPT
SCHEMBL2155294 0.78 ADRB1 (0.55) KDM4ELMNAABL1POLBMAPT
SCHEMBL30567235 0.78 ADRB1 (0.55) KDM4ELMNAABL1POLBMAPT

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-7834015-B2 treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, neurodegenerative diseases, retroviral infections, retinal damage, skin senescence and UV skin damage, and as chemosensitizers or radiosensitizers for cancer treatment INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-11-16 — — US disclosed
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-08-20 — — 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-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) PARP1, PARP2, PARP11 KDM4E 3630/4885LMNA 1512/4885ABL1 3690/4885

“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.

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