SCHEMBL3959232

SCHEMBL3959232

CCc1cc(O)cc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.55
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
MPI P34949 1/20 0.48
CDC25B P30305 3/20 0.45
TRPM4 Q8TD43 1/20 0.42
AKR1B1 P15121 1/20 0.42
CYP1A2 P05177 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
GLA P06280 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL10436098 0.85 NQO2 (0.52) NQO2ESR1ESR2KDM4EMEN1
SCHEMBL8782470 0.83 NQO2 (0.59) NQO2KDM4EMEN1ALDH1A1HPGD
SCHEMBL7943832 0.83 NQO2 (0.59) NQO2KDM4EMEN1ALDH1A1HPGD
SCHEMBL7265107 0.80 TLR8 (0.49) NQO2KDM4EMEN1ALDH1A1HPGD
SCHEMBL2010355 0.80 NQO2 (0.55) NQO2ESR1ESR2KDM4EMEN1
SCHEMBL21585548 0.80 NQO2 (0.55) NQO2KDM4EMEN1ALDH1A1HPGD
SCHEMBL8782950 0.80 NQO2 (0.55) NQO2KDM4EMEN1ALDH1A1HPGD
SCHEMBL28437424 0.79 TDP1 (0.62) NQO2KDM4EMEN1ALDH1A1HPGD
SCHEMBL14626630 0.79 NQO2 (0.50) NQO2KDM4EMEN1ALDH1A1HPGD
SCHEMBL29120678 0.79 ALOX5 (0.50) NQO2ESR1KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-11999723-B2 Pyrazole-containing macrophage migration inhibitory factor inhibitors YALE UNIVERSITY (US) 2024-06-04 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2023-02-23 US disclosed
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2023-02-23 US disclosed
EP-4130000-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-02-08 EP disclosed
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SPARCBIO LLC 2023-01-26 US disclosed
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-01 US disclosed
US-20190127336-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE ARAXES PHARMA, LLC 2019-05-02 US disclosed
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2019-04-02 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-01-26 US disclosed
US-7514520-B2 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-04-07 US disclosed
US-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester ASAHI KASEI CHEMICAL CORPORATION (JP) 2008-04-17 US disclosed
US-20070060739-A1 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2007-03-15 US disclosed
CN-1798753-A Process for producing phosphonitrilic acid ester ASAHI CHEMICAL CORP (JP) 2006-07-05 CN 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 (15 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS NQO2 446/4885ESR1 4556/4885ESR2 4301/4885
US-11999723-B2 Pyrazole-containing macrophage migration inhibitory factor inhibitors MIF, MMP12, CSF1R NQO2 2630/4885ESR1 3975/4885ESR2 2585/4885
US-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester PHOSPHO1, GNPAT, SELENOI NQO2 2791/4885ESR1 1669/4885ESR2 2651/4885
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof KRAS, NRAS, HRAS NQO2 114/4885ESR1 424/4885ESR2 1612/4885
US-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS NQO2 2504/4885ESR1 1816/4885ESR2 335/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 NQO2 1702/4885ESR1 926/4885ESR2 3283/4885
US-20190127336-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE NRAS, KRAS, HRAS NQO2 109/4885ESR1 4597/4885ESR2 3540/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS NQO2 402/4885ESR1 2203/4885ESR2 3675/4885
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents DPYD, TYMP, TOP2A NQO2 47/4885ESR1 4586/4885ESR2 4158/4885
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NQO2 147/4885ESR1 630/4885ESR2 1923/4885
US-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS NQO2 2486/4885ESR1 664/4885ESR2 1465/4885
US-20230026856-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NQO2 131/4885ESR1 3543/4885ESR2 3555/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS NQO2 446/4885ESR1 4556/4885ESR2 4301/4885
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R NQO2 2630/4885ESR1 3975/4885ESR2 2585/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS NQO2 672/4885ESR1 1518/4885ESR2 2178/4885

“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.