SCHEMBL17030754

SCHEMBL17030754

CC(C)(C)c1c(F)c(O)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM4 Q8TD43 1/20 0.47
▸ NQO2 P16083 1/20 0.41
▸ PTPN1 P18031 1/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ PTPN22 Q9Y2R2 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ MPL P40238 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL11230844 0.83 TRPM4 (0.52) TRPM4NQO2PTPN1CYP1A2ALOX5
SCHEMBL19196661 0.81 TRPM4 (0.50) TRPM4NQO2PTPN1CYP1A2ALOX5
SCHEMBL31258857 0.77 TRPM4 (0.58) TRPM4NQO2PTPN1CYP1A2ALOX5
SCHEMBL24859351 0.76 ALDH1A1 (0.44) TRPM4NQO2CYP1A2ALOX5ALDH1A1
SCHEMBL16646896 0.76 TRPM4 (0.52) TRPM4NQO2PTPN1CYP1A2ALOX5
SCHEMBL29680396 0.75 TRPM4 (0.56) TRPM4NQO2PTPN1CYP1A2ALOX5
SCHEMBL631989 0.75 TRPM4 (0.56) TRPM4NQO2PTPN1CYP1A2ALOX5
SCHEMBL2221239 0.73 PTPN22 (0.54) CYP1A2ALDH1A1TSHRTDP1GAA
Boric Acid SCHEMBL28651574 0.73 ALDH1A1 (0.41) TRPM4NQO2CYP1A2ALOX5ALDH1A1
SCHEMBL8338477 0.73 CA2 (0.42) TRPM4NQO2CYP1A2ALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 — — US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 — — US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 — — US disclosed
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 — — US disclosed
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-04-01 — — US disclosed
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2021-02-23 — — US disclosed
US-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-02-11 — — US disclosed
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2020-04-02 — — US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 — — US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 — — US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 — — US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 — — US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 — — US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 — — US 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 (10 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-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TRPM4 4454/4885NQO2 1318/4885PTPN1 403/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS TRPM4 4555/4885NQO2 1204/4885PTPN1 1146/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TRPM4 4447/4885NQO2 249/4885PTPN1 600/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TRPM4 4447/4885NQO2 249/4885PTPN1 600/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TRPM4 4454/4885NQO2 1318/4885PTPN1 403/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TRPM4 4454/4885NQO2 1318/4885PTPN1 403/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF TRPM4 3052/4885NQO2 48/4885PTPN1 1108/4885
US-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC TRPM4 4810/4885NQO2 783/4885PTPN1 815/4885
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC TRPM4 4760/4885NQO2 1285/4885PTPN1 547/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS TRPM4 4805/4885NQO2 1821/4885PTPN1 2805/4885

“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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