SCHEMBL17030804

SCHEMBL17030804

C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4ccccc4C)c(Cl)cc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.69
EGFR P00533 1/20 0.69
HMOX2 P30519 1/20 0.69
CRYZ Q08257 1/20 0.69
VAT1 Q99536 1/20 0.69
RTN4 Q9NQC3 1/20 0.69

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
SCHEMBL16646882 0.91 KRAS (0.77) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29765751 0.91 KRAS (0.77) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29766072 0.89 KRAS (0.75) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16647199 0.89 KRAS (0.75) KRASEGFRHMOX2CRYZVAT1
SCHEMBL23105194 0.88 KRAS (0.82) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29765794 0.88 KRAS (0.65) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16647086 0.88 KRAS (0.65) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16647203 0.88 KRAS (0.71) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16647048 0.88 KRAS (0.70) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29765789 0.88 KRAS (0.70) KRASEGFRHMOX2CRYZVAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2019-08-06 US disclosed
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2019-04-02 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-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 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 (8 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-10246424-B2 Substituted quinazoline compounds and methods of use thereof KRAS, NRAS, HRAS KRAS 1/4885EGFR 210/4885HMOX2 4526/4885
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KRAS 1/4885EGFR 210/4885HMOX2 4526/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885EGFR 262/4885HMOX2 4165/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885EGFR 180/4885HMOX2 4456/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885EGFR 365/4885HMOX2 3796/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885EGFR 180/4885HMOX2 4456/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885EGFR 180/4885HMOX2 4456/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS KRAS 1/4885EGFR 16/4885HMOX2 2281/4885

“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.