SCHEMBL3920532

SCHEMBL3920532

COc1ccc(N2CC[N]CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
HRH3 Q9Y5N1 4/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42
PPARA Q07869 1/20 0.42
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SUV39H2 Q9H5I1 1/20 0.40
CHRM4 P08173 1/20 0.39
UBE2T Q9NPD8 1/20 0.38
LCAT P04180 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL14650779 0.86 UBE2T (0.51) DHFRHRH3KMT2AMEN1KDM4E
SCHEMBL27837554 0.84 UBE2T (0.50) DHFRHRH3KMT2AMEN1KDM4E
SCHEMBL24921472 0.81 KDM4E (0.61) DHFRKMT2AMEN1KDM4EGAA
SCHEMBL2224435 0.81 ADRB1 (0.57) DHFRHRH3
SCHEMBL9366521 0.79 HRH3 (0.65) DHFRHRH3KMT2AMEN1KDM4E
SCHEMBL8931718 0.76 KMT2A (0.54) DHFRKMT2AMEN1KDM4EGAA
SCHEMBL30790747 0.75 HRH3 (0.53) DHFRHRH3KMT2AMEN1KDM4E
SCHEMBL22297534 0.75 GPR119 (0.55) DHFRHRH3ME2ME1ME3
SCHEMBL30790756 0.75 HRH3 (0.55) DHFRHRH3ME2ME1ME3
SCHEMBL2203703 0.75 CCR1 (0.52) HRH3KDM4ERAB9AMAPTNPC1

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 5 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-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-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

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-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 DHFR 592/4885HRH3 1527/4885KMT2A 3801/4885

“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.