SCHEMBL1982994

SCHEMBL1982994

O=C(O)c1ccc2cnccc2c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 9/20 0.51
GSK3B P49841 1/20 0.51
CLK1 P49759 1/20 0.47
DAPK3 O43293 1/20 0.44
PLK1 P53350 1/20 0.44
PLK3 Q9H4B4 1/20 0.44
PLK2 Q9NYY3 1/20 0.44
KDM4C Q9H3R0 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ERN1 O75460 1/20 0.40

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
SCHEMBL31165768 0.88 HASPIN (0.49) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL2005696 0.84 HASPIN (0.48) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL18935881 0.81 HASPIN (0.54) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL13008807 0.80 HASPIN (0.47) HASPINGSK3BCLK1DAPK3PLK1
Bromide SCHEMBL16238937 0.79 HASPIN (0.52) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL1982292 0.78 TSHR (0.60) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL14423247 0.78 HASPIN (0.54) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL568019 0.78 HASPIN (0.54) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL2502319 0.78 HASPIN (0.54) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL3589139 0.78 HASPIN (0.54) HASPINGSK3BCLK1DAPK3PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512245-B1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-07-23 EP disclosed
EP-2512245-B1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-07-23 EP disclosed
US-8664387-B2 Pyridoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-03-04 US disclosed
US-8664387-B2 Pyridoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-03-04 US disclosed
EP-2512245-A1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
US-20120252828-A1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-10-04 US disclosed
US-20120252828-A1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-10-04 US disclosed
US-20120252828-A1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-10-04 US disclosed
WO-2011075371-A1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
WO-2011075371-A1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 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-20120252828-A1 PYRIDOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRNA5 HASPIN 1734/4885GSK3B 1954/4885CLK1 2820/4885

“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.