SCHEMBL18128620

SCHEMBL18128620

C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)C(=O)C1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.77
EGFR P00533 1/20 0.77
HMOX2 P30519 1/20 0.77
CRYZ Q08257 1/20 0.77
VAT1 Q99536 1/20 0.77
RTN4 Q9NQC3 1/20 0.77
RPS6KA1 Q15418 1/20 0.45

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
SCHEMBL31657919 1.00 KRAS (0.77) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29373530 0.87 KRAS (1.00) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29379971 0.87 KRAS (1.00) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16637284 0.87 KRAS (1.00) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18963685 0.86 KRAS (0.61) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128690 0.84 KRAS (0.93) KRASEGFRHMOX2CRYZVAT1
SCHEMBL31658077 0.84 KRAS (0.93) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128357 0.83 KRAS (0.76) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128550 0.83 KRAS (0.76) KRASEGFRHMOX2CRYZVAT1
SCHEMBL31657942 0.83 KRAS (0.76) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829458-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2020-11-10 US disclosed
US-10829458-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2020-11-10 US disclosed
US-20190284144-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2019-09-19 US disclosed
US-20190284144-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2019-09-19 US disclosed
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2019-04-02 US disclosed
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2019-04-02 US disclosed
US-9988357-B2 Methods for preparation of quinazoline derivatives ARAXES PHARMA LLC (US) 2018-06-05 US disclosed
US-9988357-B2 Methods for preparation of quinazoline derivatives ARAXES PHARMA LLC (US) 2018-06-05 US disclosed
US-9988357-B2 Methods for preparation of quinazoline derivatives ARAXES PHARMA LLC (US) 2018-06-05 US disclosed
US-20170190672-A1 METHODS FOR PREPARATION OF QUINAZOLINE DERIVATIVES ARAXES PHARMA LLC 2017-07-06 US disclosed
US-20170190672-A1 METHODS FOR PREPARATION OF QUINAZOLINE DERIVATIVES ARAXES PHARMA LLC 2017-07-06 US disclosed
US-20170190672-A1 METHODS FOR PREPARATION OF QUINAZOLINE DERIVATIVES ARAXES PHARMA LLC 2017-07-06 US disclosed
WO-2017100546-A1 METHODS FOR PREPARATION OF QUINAZOLINE DERIVATIVES ARAXES PHARMA LLC (US) 2017-06-15 WO disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 US disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 US disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 US disclosed
WO-2016164675-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2016-10-13 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 (5 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-20190284144-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KRAS 1/4885EGFR 210/4885HMOX2 4526/4885
US-20170190672-A1 METHODS FOR PREPARATION OF QUINAZOLINE DERIVATIVES TTBK2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TTBK1 KRAS 1369/4885EGFR 4238/4885HMOX2 4345/4885
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-10829458-B2 Substituted quinazoline compounds and methods of use thereof KRAS, NRAS, HRAS KRAS 1/4885EGFR 210/4885HMOX2 4526/4885

“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.