SCHEMBL3976531

SCHEMBL3976531

c1csc(-c2nnc3n2CC[N]C3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 6/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTAFR P25105 1/20 0.37
TACR3 P29371 3/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PDE4A P27815 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ERG P11308 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL8028694 0.76 TACR3 (0.47) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL3556500 0.76 HPGD (0.57) KDM4EALDH1A1HPGDTACR3TSHR
SCHEMBL929665 0.75 KDM4E (0.40) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL13093362 0.71 TACR3 (0.43) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL3982171 0.71 ALDH1A1 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL3556138 0.70 ALDH1A1 (0.41) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL30518866 0.67 ALDH1A1 (0.51) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL3071949 0.65 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL2115307 0.65 POLB (0.48)
SCHEMBL8028692 0.65 TACR3 (0.47) KDM4ETACR3CYP1A2CYP3A4ERG

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 KDM4E 3069/4885HSD17B10 2665/4885ALDH1A1 278/4885

“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.