SCHEMBL2642877

SCHEMBL2642877

CCS(=O)(=O)c1cccc(Cl)c1[O]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.39
CYP3A4 P08684 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
HSD11B1 P28845 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
FPR2 P25090 1/20 0.36
MTOR P42345 1/20 0.36
CSNK1A1 P48729 1/20 0.36

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
SCHEMBL2643715 0.82 MCOLN3 (0.50) PSIP1CYP3A4CYP1A2CYP2C19MEN1
SCHEMBL8765900 0.81 PSIP1 (0.48) PSIP1CYP3A4CYP1A2CYP2C19KMT2A
SCHEMBL29707954 0.81 PSIP1 (0.48) PSIP1CYP3A4CYP1A2CYP2C19KMT2A
SCHEMBL2642804 0.79 HSD11B1 (0.44) MEN1KMT2ATSHRTDP1KDM4E
SCHEMBL2642878 0.78 CXCR2 (0.43) PSIP1CYP3A4CYP1A2CYP2C19MEN1
SCHEMBL13911244 0.74 CXCR2 (0.49) PSIP1MEN1KMT2ATSHRTDP1
SCHEMBL28680071 0.73 PSIP1 (0.59) PSIP1CYP3A4CYP1A2CYP2C19TSHR
SCHEMBL28836048 0.72 PSIP1 (0.46) PSIP1CYP3A4CYP1A2CYP2C19MEN1
SCHEMBL11406615 0.71 GAA (0.42) PSIP1CYP3A4CYP1A2CYP2C19MEN1
SCHEMBL6656641 0.70 GABRA1 (0.46) ALDH1A1

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 PSIP1 2234/4885CYP3A4 433/4885CYP1A2 618/4885

“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.