SCHEMBL1832862

SCHEMBL1832862

O=c1cc(-c2ccncc2)nc2c(CCc3ccccc3F)cccn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.44
PRKACA P17612 2/20 0.44
ROCK2 O75116 2/20 0.44
CDC7 O00311 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM1 P11309 1/20 0.44
HIPK2 Q9H2X6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
ROCK1 Q13464 2/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
POLB P06746 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
SCHEMBL1840545 0.95 GSK3B (0.44) GSK3BPRKACAROCK2CDC7MAP4K4
SCHEMBL1834287 0.90 GSK3B (0.39) GSK3BPRKACAROCK2CDC7MAP4K4
SCHEMBL1835974 0.86 PSEN1 (0.45) GSK3BPRKACAROCK2CDC7MAP4K4
SCHEMBL1834117 0.83 LMNA (0.46) GSK3BPRKACAROCK2CDC7MAP4K4
SCHEMBL1841387 0.83 GSK3B (0.58) GSK3BPRKACAROCK2CDC7MAP4K4
SCHEMBL910170 0.82 GSK3B (0.50) GSK3BPRKACAROCK2CDC7MAP4K4
SCHEMBL910196 0.79 GSK3B (0.46) GSK3BPRKACAROCK2CDC7MAP4K4
SCHEMBL4473538 0.77 PIK3CD (0.45) GSK3BPRKACAROCK2CDC7MAP4K4
SCHEMBL910135 0.76 PIK3CD (0.43) GSK3BPRKACAROCK2CDC7MAP4K4
SCHEMBL910226 0.75 GSK3B (0.58) GSK3BPRKACAROCK2CDC7MAP4K4

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
US-9073915-B2 Substituted pyrimidone derivatives SANOFI (FR) 2015-07-07 US claimed
JP-2011525906-A 2011-09-29 JP claimed
US-20110144133-A1 SUBSTITUTED PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-06-16 US claimed
EP-2321314-A2 SUBSTITUTED PYRIMIDONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2011-05-18 EP claimed
EP-2138493-A1 Substituted pyrimidone derivatives Sanofi-Aventis (FR) 2009-12-30 EP claimed
WO-2009156861-A2 SUBSTITUTED PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-30 WO claimed
EP-2321314-B1 SUBSTITUTED PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2017-05-31 EP disclosed
US-9073915-B2 Substituted pyrimidone derivatives SANOFI (FR) 2015-07-07 US disclosed
US-20110144133-A1 SUBSTITUTED PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
EP-2138493-A1 Substituted pyrimidone derivatives Sanofi-Aventis (FR) 2009-12-30 EP disclosed
WO-2009156861-A2 SUBSTITUTED PYRIMIDONE 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-20110144133-A1 SUBSTITUTED PYRIMIDONE DERIVATIVES DHFR, TYMP, DPYD GSK3B 4094/4885PRKACA 2860/4885ROCK2 3186/4885

“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.