SCHEMBL2884785

SCHEMBL2884785

O=[N+]([O-])c1ccc2c(c1)CCNC21NC=Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.43
ADRA2A P08913 3/20 0.43
TDP2 O95551 1/20 0.36
HTR1A P08908 1/20 0.35
GRIN2B Q13224 2/20 0.34
CHRNA7 P36544 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PARP1 P09874 1/20 0.34
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
TLR9 Q9NR96 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1953181 0.72 PNMT (0.56) PNMTADRA2ATDP2HTR1ACHRNA7
SCHEMBL1948906 0.71 PNMT (0.55) PNMTADRA2ATDP2HTR1ACHRNA7
SCHEMBL2884784 0.69 PNMT (0.44) PNMTADRA2ATDP2HTR1AGRIN2B
SCHEMBL7208524 0.67 PNMT (0.53) PNMTADRA2ATDP2HTR1AMEN1
SCHEMBL1950885 0.65 PNMT (0.54) PNMTADRA2ATDP2HTR1ACHRNA7
SCHEMBL717840 0.64 PNMT (0.81) PNMTADRA2ATDP2GRIN2BMEN1
Hydrochloric Acid SCHEMBL1947220 0.63 PNMT (0.78) PNMTADRA2ATDP2GRIN2BMEN1
1,2,3,4-Tetrahydroisoquinoline SCHEMBL5485986 0.62 PNMT (0.85) PNMTADRA2AADRA2BADRA2C
SCHEMBL324460 0.62 PNMT (1.00) PNMTADRA2AADRA2BADRA2C
SCHEMBL1269277 0.62 PNMT (0.87) PNMTADRA2ATDP2ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213673-B1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2013-06-05 EP disclosed
US-8329711-B2 Pyridone-substituted-dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2012-12-11 US disclosed
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. (JP) 2010-09-02 US disclosed
EP-2213673-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-04 EP 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-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE1, WEE2, CCNE1 PNMT 4454/4885ADRA2A 2240/4885TDP2 3653/4885

“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.