SCHEMBL1840729

SCHEMBL1840729

O=c1cc(-c2ccncc2)nc2c3cccc([N+](=O)[O-])c3ccn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CDC7 O00311 2/20 0.39
MAP4K4 O95819 2/20 0.39
PIM1 P11309 2/20 0.39
PRKACA P17612 2/20 0.39
GSK3B P49841 2/20 0.39
HIPK2 Q9H2X6 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CDK2 P24941 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
ROCK2 O75116 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 5/20 0.38
PSD A5PKW4 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL1837492 0.88 PSD (0.39) GAAGSK3BROCK2SMN1; SMN2ALDH1A1
SCHEMBL1838129 0.82 GSK3B (0.41) CDC7MAP4K4PIM1PRKACAGSK3B
SCHEMBL1839402 0.79 PRKDC (0.54) CDC7MAP4K4PIM1PRKACAGSK3B
SCHEMBL1835853 0.71 GSK3B (0.39) CDC7MAP4K4PIM1PRKACAGSK3B
SCHEMBL1840178 0.71 GSK3B (0.39) CDC7MAP4K4PIM1PRKACAGSK3B
SCHEMBL910196 0.71 GSK3B (0.46) GAACDC7MAP4K4PIM1PRKACA
SCHEMBL909871 0.70 GSK3B (0.48) GAACDC7MAP4K4PIM1PRKACA
SCHEMBL1839427 0.70 GSK3B (0.45) CDC7MAP4K4PIM1PRKACAGSK3B
SCHEMBL1960579 0.68 GSK3B (0.40) CDC7MAP4K4PIM1PRKACAGSK3B
SCHEMBL910226 0.68 GSK3B (0.58) CDC7MAP4K4PIM1PRKACAGSK3B

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-2321313-B1 SUBSTITUTED PYRIMIDO[2,1-A]ISOQUINOLIN-4-ONE DERIVATIVES AS GSK3 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-09-02 EP claimed
US-8211903-B2 Substituted pyrimido isoquinoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-07-03 US claimed
US-20110144138-A1 SUBSTITUTED PYRIMIDO ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-06-16 US claimed
EP-2138495-A1 Substituted pyrimido[2,1-a]isoquinolin-4-one derivatives sanofi-aventis (FR) 2009-12-30 EP claimed
EP-2321313-B1 SUBSTITUTED PYRIMIDO[2,1-A]ISOQUINOLIN-4-ONE DERIVATIVES AS GSK3 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-09-02 EP disclosed
US-8211903-B2 Substituted pyrimido isoquinoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-07-03 US disclosed
US-20110144138-A1 SUBSTITUTED PYRIMIDO ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
EP-2321313-A1 SUBSTITUTED PYRIMIDO [2, 1-A]ISOQUINOLIN-4-ONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2011-05-18 EP disclosed
EP-2138495-A1 Substituted pyrimido[2,1-a]isoquinolin-4-one derivatives sanofi-aventis (FR) 2009-12-30 EP disclosed
WO-2009156859-A1 SUBSTITUTED PYRIMIDO [2, 1-A] ISOQUINOLIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-30 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-20110144138-A1 SUBSTITUTED PYRIMIDO ISOQUINOLINE DERIVATIVES RECQL, QDPR, IFNAR1 GAA 1959/4885TDP1 573/4885CDC7 1008/4885

“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.