SCHEMBL3986774

SCHEMBL3986774

FC(F)(F)c1ccc(-c2nnc3n2CC[N]C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.39
KDM4E B2RXH2 2/20 0.38
PIM1 P11309 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
KIF11 P52732 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
TACR3 P29371 1/20 0.36
HSD11B1 P28845 2/20 0.36
SCN5A Q14524 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
NFKB1 P19838 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL3555729 0.77 KMT2A (0.41) HSD11B1
SCHEMBL1248292 0.72 DPP4 (0.35) ALDH1A1HTT
SCHEMBL17595693 0.68 GRM2 (0.38) HPGDKDM4EPIM1SIGMAR1HSD11B1
SCHEMBL12937169 0.66 KIF11 (0.47) HPGDKDM4EPIM1ALDH1A1KIF11
SCHEMBL2253219 0.66 DPP4 (0.33)
SCHEMBL30518878 0.66 ALDH1A1 (0.61) HPGDKDM4EPIM1ALDH1A1KIF11
SCHEMBL4241192 0.64 KMT2A (0.43) ALDH1A1HTTLMNA
SCHEMBL14076998 0.64 HSD11B1 (0.49) HPGDKDM4EPIM1ALDH1A1KIF11
SCHEMBL218937 0.63 CA12 (0.51) LMNAHRH4
SCHEMBL13197419 0.62 AVPR1A (0.54) HPGDKDM4EALDH1A1KIF11HSD17B10

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 HPGD 787/4885KDM4E 3069/4885PIM1 2055/4885

“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.