SCHEMBL1840178

SCHEMBL1840178

O=c1cc(-c2ccncc2)nc2c3cc(O)ccc3ccn12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.39
CDC7 O00311 3/20 0.39
PIM1 P11309 3/20 0.39
HIPK2 Q9H2X6 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
ROCK2 O75116 2/20 0.39
MAP4K4 O95819 2/20 0.39
PRKACA P17612 2/20 0.39
KDM5B Q9UGL1 1/20 0.39
PRKDC P78527 6/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
QPCT Q16769 1/20 0.36
PSD A5PKW4 1/20 0.35
CDK2 P24941 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
MTOR P42345 1/20 0.34

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
SCHEMBL1835853 0.85 GSK3B (0.39) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL1839402 0.83 PRKDC (0.54) GSK3BCDC7PIM1HIPK2CLK4
Oxalic Acid SCHEMBL1835999 0.82 CYP2C9 (0.41) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL1960579 0.81 GSK3B (0.40) GSK3BCDC7PIM1HIPK2CLK4
Fumaric Acid SCHEMBL1960107 0.77 CYP3A4 (0.39) GSK3BCDC7PIM1HIPK2CLK4
Maleic Acid SCHEMBL1960105 0.77 CYP3A4 (0.39) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL1838129 0.73 GSK3B (0.41) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL1839427 0.73 GSK3B (0.45) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL910196 0.71 GSK3B (0.46) GSK3BCDC7PIM1HIPK2CLK4
SCHEMBL1840729 0.71 GAA (0.43) GSK3BCDC7PIM1HIPK2CLK4

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 11 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-2321313-A1 SUBSTITUTED PYRIMIDO [2, 1-A]ISOQUINOLIN-4-ONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2011-05-18 EP claimed
EP-2138495-A1 Substituted pyrimido[2,1-a]isoquinolin-4-one derivatives sanofi-aventis (FR) 2009-12-30 EP claimed
WO-2009156859-A1 SUBSTITUTED PYRIMIDO [2, 1-A] ISOQUINOLIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-30 WO claimed
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 GSK3B 4110/4885CDC7 1008/4885PIM1 659/4885

“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.