SCHEMBL1665290

SCHEMBL1665290

O=C1N=Nc2ccncc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CDC25B P30305 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.34
TP53 P04637 3/20 0.34
CYP3A4 P08684 3/20 0.34
MAPT P10636 3/20 0.34
CASP1 P29466 3/20 0.34
BLM P54132 3/20 0.34
CASP7 P55210 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 2/20 0.33
RPS6KA3 P51812 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31

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
SCHEMBL2299303 0.82 MAOA (0.43) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL94097 0.69 MEN1 (0.41) MAOAMAOBCDC25BSMN1; SMN2MAPT
SCHEMBL6805580 0.69 CDC25B (0.39) CDC25B
SCHEMBL7232074 0.67 MAOA (0.52) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL28881613 0.67 MAOA (0.42) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL8417659 0.65 MAOA (0.86) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL9269089 0.65 MAOA (0.77) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL30956639 0.65 MAOA (0.70) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL20618218 0.65 MAOA (0.77) MAOAMAOBCDC25BSMN1; SMN2TP53
SCHEMBL30616365 0.65 MAOA (0.86) MAOAMAOBCDC25BSMN1; SMN2TP53

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0115469-B1 PYRAZOLO(3,4-D)PYRIDIN-3-ONES CONDENSED WITH A HETEROCYCLE CIBA-GEIGY AG (CH) 1987-05-20 EP claimed
EP-0115469-A1 Pyrazolo(3,4-d)pyridin-3-ones condensed with a heterocycle CIBA-GEIGY AG (CH) 1984-08-08 EP claimed
EP-2483275-B1 HETEROCYCLIC-FUSED PYRAZOLO[4,3-c]PYRIDIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
US-8426438-B2 Heterocyclic-fused pyrazolo[4,3-c]pyridin-3-one M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-8426438-B2 Heterocyclic-fused pyrazolo[4,3-c]pyridin-3-one M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
EP-2483275-A1 HETEROCYCLIC-FUSED PYRAZOLO[4,3-c]PYRIDIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Schering Corporation (US) 2012-08-08 EP disclosed
EP-2483275-A1 HETEROCYCLIC-FUSED PYRAZOLO[4,3-c]PYRIDIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Schering Corporation (US) 2012-08-08 EP disclosed
US-20120178760-A1 Heterocyclic-Fused Pyrazolo[4,3-c] Pyridin-3-One M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120178760-A1 Heterocyclic-Fused Pyrazolo[4,3-c] Pyridin-3-One M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120178760-A1 Heterocyclic-Fused Pyrazolo[4,3-c] Pyridin-3-One M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
WO-2011041143-A1 HETEROCYCLIC-FUSED PYRAZOLO[4,3-c]PYRIDIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-04-07 WO disclosed
EP-0168350-A2 Certain ring-fused pyrazolo [3,4-d]-pyridin-3-one derivatives CIBA-GEIGY AG (CH) 1986-01-15 EP disclosed
EP-0168350-A2 Certain ring-fused pyrazolo [3,4-d]-pyridin-3-one derivatives CIBA-GEIGY AG (CH) 1986-01-15 EP disclosed
US-4560689-A ANTICONVULSANTS, ANTIDEPRESSANTS, SEDATIVE ANTIDOTES, AND ANTIEPLILEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1985-12-24 US disclosed
US-4560689-A ANTICONVULSANTS, ANTIDEPRESSANTS, SEDATIVE ANTIDOTES, AND ANTIEPLILEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1985-12-24 US disclosed
US-4560689-A ANTICONVULSANTS, ANTIDEPRESSANTS, SEDATIVE ANTIDOTES, AND ANTIEPLILEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1985-12-24 US disclosed
US-4479955-A ANTICONVULSANTS, ANTIDEPRESSANTS, ANTIEPILEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
US-4479955-A ANTICONVULSANTS, ANTIDEPRESSANTS, ANTIEPILEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
EP-0115469-A1 Pyrazolo(3,4-d)pyridin-3-ones condensed with a heterocycle CIBA-GEIGY AG (CH) 1984-08-08 EP disclosed
EP-0115469-A1 Pyrazolo(3,4-d)pyridin-3-ones condensed with a heterocycle CIBA-GEIGY AG (CH) 1984-08-08 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-20120178760-A1 Heterocyclic-Fused Pyrazolo[4,3-c] Pyridin-3-One M1 Receptor Positive Allosteric Modulators CHRM1, CHRM4, CHRM2 MAOA 772/4885MAOB 1075/4885CDC25B 1978/4885

“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.