SCHEMBL20445006

SCHEMBL20445006

COc1cc(-c2ccc3ccn(C(=O)OC(C)(C)C)c3c2)c2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACLY P53396 1/20 0.38
PDE10A Q9Y233 1/20 0.38
NR1H2 P55055 9/20 0.37
CDC25B P30305 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NTSR1 P30989 1/20 0.36
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL8504655 0.81 PARP1 (0.43) ACLYNR1H2PIK3CDABL1EGFR
SCHEMBL982760 0.78 TFPI2 (0.49) NR1H2
SCHEMBL30285197 0.78 SLC6A3 (0.55) ACLYNR1H2PIK3CDABL1EGFR
SCHEMBL24286297 0.77 NR1H2 (0.41) NR1H2PIK3CANR1H3
SCHEMBL25010272 0.74 NR1H2 (0.48) NR1H2NR1H3
SCHEMBL29701136 0.74 NOTUM (0.59) ACLYNR1H2L3MBTL1PIK3CDABL1
SCHEMBL691666 0.74 NOTUM (0.59) ACLYNR1H2L3MBTL1PIK3CDABL1
SCHEMBL2266733 0.73 TUBB1 (0.55) NR1H2L3MBTL1PIK3CDABL1EGFR
SCHEMBL30230816 0.73 TUBB1 (0.55) NR1H2L3MBTL1PIK3CDABL1EGFR
SCHEMBL4163083 0.73 CAMKK2 (0.47) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer ARAXES PHARMA LLC (US) 2022-03-22 US disclosed
WO-2018140513-A1 1-(3-(6-(3-HYDROXYNAPHTHALEN-1-YL)BENZOFURAN-2-YL)AZETIDIN-1YL)PROP-2-EN-1-ONE DERIVATIVES AND SIMILAR COMPOUNDS AS KRAS G12C MODULATORS FOR TREATING CANCER ARAXES PHARMA LLC (US) 2018-08-02 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-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer KRAS, NRAS, HRAS CYP11B1 2415/4885CYP11B2 3202/4885CYP1A2 2823/4885

“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.