SCHEMBL2642236

SCHEMBL2642236

[O]c1c(F)cc(CO)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
KDM4E B2RXH2 1/20 0.37
CASP6 P55212 1/20 0.37
KIF11 P52732 1/20 0.34
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
EPHX2 P34913 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30

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
SCHEMBL391375 0.78 ACHE (0.46) ACHECYP4F2CYP4A11KDM4ECASP6
SCHEMBL523766 0.76 ACHE (0.43) ACHECYP4F2CYP4A11KDM4ECASP6
SCHEMBL2642238 0.76 ACHE (0.50) ACHECYP4F2CYP4A11KDM4ECASP6
SCHEMBL16953925 0.74 ACHE (0.42) ACHECYP4F2CYP4A11KDM4ECASP6
SCHEMBL16040250 0.74 ACHE (0.42) ACHECYP4F2CYP4A11KDM4ECASP6
SCHEMBL4547660 0.74 ACHE (0.42) ACHECYP4F2CYP4A11KDM4ECASP6
SCHEMBL30142126 0.74 ACHE (0.42) ACHECYP4F2CYP4A11KDM4ECASP6
SCHEMBL855473 0.74 ACHE (0.42) ACHECYP4F2CYP4A11KDM4ECASP6
SCHEMBL19985855 0.73 ACHE (0.37) ACHECYP4F2CYP4A11KDM4ECASP6
SCHEMBL542579 0.73 PRKAB2 (0.41) ACHECYP4F2CYP4A11KDM4ECASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 EP 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-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK ACHE 2031/4885CYP4F2 411/4885CYP4A11 1442/4885

“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.