SCHEMBL20314895

SCHEMBL20314895

COc1cc(C(C)C)c2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2A6 P11509 1/20 0.53
▸ CASP3 P42574 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ NQO2 P16083 1/20 0.46
▸ CDC25B P30305 3/20 0.45
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NQO1 P15559 1/20 0.42
▸ BCHE P06276 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40

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
SCHEMBL30344621 0.86 CDC25B (0.47) CYP1A2CYP2A6CASP3SENP7NQO2
SCHEMBL25156702 0.86 CDC25B (0.47) CYP1A2CYP2A6CASP3SENP7NQO2
SCHEMBL26866973 0.84 CYP1A2 (0.38) CYP1A2CYP2A6MAPTSMN1; SMN2ALDH1A1
SCHEMBL14242763 0.80 CYP1A2 (0.57) CYP1A2CYP2A6ACHEKRASL3MBTL1
SCHEMBL15915106 0.77 CYP1A2 (0.52) CYP1A2CYP2A6CASP3SENP7NQO2
SCHEMBL31581619 0.77 CDC25B (0.49) CYP1A2CDC25BKDM4EALDH1A1HPGD
SCHEMBL31524012 0.76 CDC25B (0.48) CYP1A2CASP3SENP7CDC25BKDM4E
SCHEMBL13698612 0.75 CYP1A2 (0.40) CYP1A2CYP2A6MAPTALDH1A1BCHE
SCHEMBL24854541 0.75 MAPT (0.46) MAPTSMN1; SMN2TDP1KDM4EALDH1A1
SCHEMBL1161428 0.75 CYP2A6 (0.57) CYP1A2CYP2A6CASP3SENP7NQO2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof 280 Bio, Inc (US) 2023-08-03 — — US disclosed
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof 280 Bio, Inc (US) 2023-08-03 — — US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 — — US disclosed
WO-2023114733-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-06-22 — — WO disclosed
WO-2023020519-A1 1, 4-OXAZEPANE DERIVATIVES AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-23 — — WO disclosed
WO-2022261210-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2022-12-15 — — WO disclosed
WO-2022247770-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海璎黎药业有限公司 2022-12-01 — — WO disclosed
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-02 — — US disclosed
US-11285135-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2022-03-29 — — US disclosed
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS ARAXES PHARMA LLC (US) 2021-12-09 — — US disclosed
US-11021470-B2 2-substituted quinazoline compounds comprising a substituted heterocyclic group and methods of use thereof ARAXES PHARMA LLC (US) 2021-06-01 — — US disclosed
US-20200181123-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2020-06-11 — — US disclosed
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 — — US disclosed
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2020-02-20 — — US disclosed
US-10519146-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2019-12-31 — — US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 — — US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 — — US disclosed
WO-2018119183-A2 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 — — 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 (12 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-10519146-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CYP1A2 4727/4885CYP2A6 4480/4885CASP3 4028/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CYP1A2 4739/4885CYP2A6 4519/4885CASP3 3228/4885
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS KRAS, NRAS, G3BP2 CYP1A2 4484/4885CYP2A6 3777/4885CASP3 1914/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 CYP1A2 360/4885CYP2A6 760/4885CASP3 2264/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CYP1A2 3856/4885CYP2A6 4003/4885CASP3 3378/4885
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof NRAS, KRAS, RAB8A CYP1A2 1713/4885CYP2A6 829/4885CASP3 3465/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CYP1A2 4727/4885CYP2A6 4480/4885CASP3 4028/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CYP1A2 4727/4885CYP2A6 4480/4885CASP3 4028/4885
US-20200181123-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CYP1A2 1221/4885CYP2A6 2531/4885CASP3 2372/4885
US-11021470-B2 2-substituted quinazoline compounds comprising a substituted heterocyclic group and methods of use thereof KRAS, NRAS, HRAS CYP1A2 1221/4885CYP2A6 2531/4885CASP3 2372/4885
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CYP1A2 4726/4885CYP2A6 4418/4885CASP3 3634/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS CYP1A2 3478/4885CYP2A6 3433/4885CASP3 1578/4885

“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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