SCHEMBL18963672

SCHEMBL18963672

C=CC(=O)N1CC2CN(c3ncnc4c(F)c(-c5c(O)cccc5F)c(Cl)cc34)CC2C1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.81
EGFR P00533 1/20 0.81
HMOX2 P30519 1/20 0.81
CRYZ Q08257 1/20 0.81
VAT1 Q99536 1/20 0.81
RTN4 Q9NQC3 1/20 0.81
RPS6KA1 Q15418 1/20 0.47

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
SCHEMBL29373530 0.90 KRAS (1.00) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29379971 0.90 KRAS (1.00) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16637284 0.90 KRAS (1.00) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128569 0.87 KRAS (0.74) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128361 0.87 KRAS (0.74) KRASEGFRHMOX2CRYZVAT1
SCHEMBL31658053 0.87 KRAS (0.74) KRASEGFRHMOX2CRYZVAT1
SCHEMBL31658024 0.87 KRAS (0.74) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128551 0.87 KRAS (0.74) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128496 0.87 KRAS (0.74) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128532 0.87 KRAS (0.74) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2017100546-A1 METHODS FOR PREPARATION OF QUINAZOLINE DERIVATIVES ARAXES PHARMA LLC (US) 2017-06-15 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 (1 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-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

“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.