SCHEMBL24663909

SCHEMBL24663909

Cc1cc(O)cc2ccc(F)c(F)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 14/20 0.39
▸ ESR2 Q92731 14/20 0.39
▸ CYP3A4 P08684 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NUAK1 O60285 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ PKN1 Q16512 1/20 0.32

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
SCHEMBL24175927 0.85 ESR1 (0.39) ESR1ESR2CYP3A4CHRM1ALOX15
SCHEMBL24652318 0.81 ESR1 (0.37) ESR1ESR2CYP3A4CHRM1ALOX15
SCHEMBL24663180 0.81 CYP3A4 (0.47) ESR1ESR2CYP3A4CHRM1ALOX15
SCHEMBL26667523 0.81 CYP3A4 (0.42) ESR1ESR2CYP3A4CHRM1ALOX15
SCHEMBL27423499 0.80 RAPGEF4 (0.39) ESR1ESR2
SCHEMBL25040847 0.80 ESR1 (0.40) ESR1ESR2
SCHEMBL24175882 0.79 ESR1 (0.39) ESR1ESR2CYP3A4CHRM1ALOX15
SCHEMBL26713115 0.79 TUBB4A (0.40) ESR1ESR2CYP3A4CHRM1ALOX15
SCHEMBL25165027 0.79 ESR1 (0.35) ESR1ESR2CYP3A4CHRM1ALOX15
SCHEMBL24536157 0.78 ESR2 (0.40) ESR1ESR2

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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 — — US disclosed
WO-2024138486-A1 TETRACYCLIC DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2024-07-04 — — WO disclosed
US-20240216516-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF TIGER BIOTHERAPEUTICS INC. 2024-07-04 — — US disclosed
WO-2024091409-A1 TRICYCLIC DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2024-05-02 — — WO disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
EP-4310091-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-24 — — EP disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 — — US disclosed
WO-2023205719-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-10-26 — — WO disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 — — WO disclosed
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 — — EP disclosed
WO-2023098832-A1 PYRIDOPYRIMIDINE DERIVATIVES SERVING AS SMALL GTP ENZYME KRAS MUTATION INHIBITORS 思路迪生物医药(上海)有限公司 2023-06-08 — — WO disclosed
WO-2023061294-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 再鼎医药(上海)有限公司 2023-04-20 — — WO disclosed
WO-2023018809-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2023-02-16 — — WO disclosed
WO-2023018810-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2023-02-16 — — WO disclosed
WO-2023001123-A1 NEW PYRIDOPYRIMIDINE DERIVATIVE 上海艾力斯医药科技股份有限公司 2023-01-26 — — WO disclosed
WO-2023284730-A1 ALKYLIDENE DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-01-19 — — WO disclosed
WO-2022266015-A1 FUSED HETEROARYL COMPOUNDS USEFUL AS ANTICANCER AGENTS KUMQUAT BIOSCIENCES INC. (US) 2022-12-22 — — WO disclosed
WO-2022266206-A1 KRAS INHIBITOR CONJUGATES ERASCA, INC. (US) 2022-12-22 — — WO disclosed
WO-2022261210-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2022-12-15 — — WO disclosed
WO-2022199587-A1 PYRIMIDINE HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2022-09-29 — — 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 (4 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-20240216516-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF KRAS, VHL, HRAS ESR1 1673/4885ESR2 3118/4885CYP3A4 3303/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS ESR1 1861/4885ESR2 1781/4885CYP3A4 3742/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF ESR1 3421/4885ESR2 4674/4885CYP3A4 710/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS ESR1 1518/4885ESR2 2178/4885CYP3A4 3711/4885

“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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