SCHEMBL24535005

SCHEMBL24535005

CC1(C)OC(=O)C(C(=O)Cc2ccc(F)c(Cl)c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.43
BACE1 P56817 1/20 0.39
GRM2 Q14416 2/20 0.38
HTR2A P28223 1/20 0.38
HSD11B1 P28845 1/20 0.38
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
RPA1 P27694 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
ALOX15 P16050 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
CNR2 P34972 1/20 0.36
GRM3 Q14832 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
SCHEMBL29679997 1.00 PIK3CA (0.43) PIK3CABACE1GRM2HTR2AHSD11B1
SCHEMBL31551850 0.88 BACE1 (0.41) BACE1ALDH1A1MAPTKDM4EHTT
SCHEMBL29679895 0.85 KDM4E (0.39) BACE1ALDH1A1MAPTKDM4EHTT
SCHEMBL29080116 0.85 KDM4E (0.39) BACE1ALDH1A1MAPTKDM4EHTT
SCHEMBL25353819 0.84 L3MBTL1 (0.40) BACE1ALDH1A1GLANPSR1
SCHEMBL698104 0.81 BACE1 (0.43) BACE1ALDH1A1KDM4EHTTTSHR
SCHEMBL21176880 0.76 HPGD (0.46) BACE1ALDH1A1MAPTKDM4EHTT
SCHEMBL28978262 0.76 BACE1 (0.42) BACE1GLANPSR1
SCHEMBL31048329 0.75 BACE1 (0.40) BACE1ALDH1A1MAPTKDM4EHTT
SCHEMBL30706753 0.75 BACE1 (0.40) BACE1ALDH1A1MAPTKDM4EHTT

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
CN-116829151-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2023-09-29 CN disclosed
US-20220194961-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. 2022-06-23 US disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 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-20220194961-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS PIK3CA 43/4885BACE1 1760/4885GRM2 4456/4885

“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.