SCHEMBL1839402

SCHEMBL1839402

O=c1cc(-c2ccncc2)nc2c3ccccc3ccn12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 9/20 0.54
MTOR P42345 1/20 0.50
GSK3B P49841 3/20 0.47
CDC7 O00311 2/20 0.47
MAP4K4 O95819 2/20 0.47
PIM1 P11309 2/20 0.47
PRKACA P17612 2/20 0.47
HIPK2 Q9H2X6 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
ROCK2 O75116 1/20 0.47
PARP1 P09874 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CDK2 P24941 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
KDM5B Q9UGL1 1/20 0.41
DHODH Q02127 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
SCHEMBL1840178 0.83 GSK3B (0.39) PRKDCMTORGSK3BCDC7MAP4K4
SCHEMBL1835853 0.83 GSK3B (0.39) PRKDCMTORGSK3BCDC7MAP4K4
SCHEMBL1838129 0.82 GSK3B (0.41) PRKDCGSK3BCDC7MAP4K4PIM1
SCHEMBL1960579 0.80 GSK3B (0.40) GSK3BCDC7MAP4K4PIM1PRKACA
SCHEMBL1840729 0.79 GAA (0.43) GSK3BCDC7MAP4K4PIM1PRKACA
Oxalic Acid SCHEMBL1835999 0.78 CYP2C9 (0.41) GSK3BCDC7MAP4K4PIM1PRKACA
SCHEMBL910196 0.77 GSK3B (0.46) GSK3BCDC7MAP4K4PIM1PRKACA
SCHEMBL910226 0.77 GSK3B (0.58) GSK3BCDC7MAP4K4PIM1PRKACA
SCHEMBL1839427 0.76 GSK3B (0.45) GSK3BCDC7MAP4K4PIM1PRKACA
SCHEMBL909871 0.76 GSK3B (0.48) GSK3BCDC7MAP4K4PIM1PRKACA

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 12 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
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 PRKDC 2073/4885MTOR 1624/4885GSK3B 4110/4885

“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.