SCHEMBL23137429

SCHEMBL23137429

COc1cccc(F)c1-c1c(Cl)cc2c(O)cc(=O)n(C)c2c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ CYP19A1 P11511 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ MAPK1 P28482 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CHEK1 O14757 1/20 0.36
▸ WEE1 P30291 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KRAS P01116 1/20 0.36
▸ CTSV O60911 1/20 0.35
▸ GRM4 Q14833 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GRIA1 P42261 1/20 0.35
▸ CACNG8 Q8WXS5 1/20 0.35
▸ EGFR P00533 1/20 0.34

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
SCHEMBL23136615 0.80 CDK2 (0.39) MAPTGRM4MEN1KMT2AGRIA1
SCHEMBL25829484 0.77 MAPT (0.43) MAPTCYP19A1NQO2MAPK1L3MBTL1
SCHEMBL24459896 0.73 KRAS (0.40) CHEK1WEE1KRASEGFR
SCHEMBL30534031 0.73 KRAS (0.40) CHEK1WEE1KRASEGFR
SCHEMBL20373555 0.72 F2RL3 (0.39) KRASEGFRLMNA
SCHEMBL18128619 0.70 KRAS (0.44) MAPTCYP3A4CYP2C19KRASMEN1
SCHEMBL18128526 0.70 NQO2 (0.36) MAPTNQO2CYP3A4CYP2C19KRAS
SCHEMBL30253523 0.70 GRIA1 (0.44) NQO2CYP1A2CHEK1WEE1MEN1
SCHEMBL18395037 0.69 PARP1 (0.47) KRASGRIA1CACNG8EGFRPIM1
SCHEMBL2267619 0.68 MAPT (0.53) MAPTCYP19A1NQO2CYP1A2CTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 — — US disclosed
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 — — US disclosed
US-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-12-08 — — US disclosed
WO-2021052499-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-03-25 — — 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 (2 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-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 MAPT 4157/4885CYP19A1 737/4885NQO2 1381/4885
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 MAPT 4157/4885CYP19A1 737/4885NQO2 1381/4885

“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.

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