SCHEMBL3555696

SCHEMBL3555696

Cc1cnc(C)c(N2CC[N]CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 4/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.37
HRH4 Q9H3N8 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1737167 0.79 CHRNB2 (0.50) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL13035395 0.78 TSHR (0.57) L3MBTL1KMT2AMEN1KDM4EGAA
SCHEMBL14107789 0.77 KMT2A (0.51) L3MBTL1KMT2AMEN1KDM4EGAA
SCHEMBL14083432 0.77 KMT2A (0.42) L3MBTL1KMT2AMEN1KDM4EGAA
SCHEMBL6358822 0.74 ROCK2 (0.47)
SCHEMBL12988894 0.74 NPSR1 (0.47) L3MBTL1KMT2AMEN1KDM4EGAA
SCHEMBL4480012 0.70 L3MBTL1 (0.63) L3MBTL1KMT2AMEN1KDM4EGAA
SCHEMBL5163456 0.70 ALDH1A1 (0.46) L3MBTL1KMT2AMEN1KDM4EGAA
SCHEMBL3103827 0.69 CHRM4 (0.54) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL3106610 0.69 ALDH1A1 (0.52) KMT2AMEN1KDM4EALDH1A1HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP disclosed
US-8188084-B2 Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-05-29 US disclosed
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
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 US disclosed
EP-2032140-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 Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-03-11 EP disclosed
EP-2029551-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-03-04 EP disclosed
WO-2007138351-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 WO disclosed
WO-2007138355-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) 2007-12-06 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 (2 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-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 L3MBTL1 3834/4885KMT2A 3801/4885MEN1 3352/4885
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 L3MBTL1 2961/4885KMT2A 2987/4885MEN1 3999/4885

“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.