SCHEMBL18153450

SCHEMBL18153450

COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(=O)O)CC3)c(C#N)c(N)nc2c1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KRAS P01116 7/20 0.43
CFD P00746 11/20 0.39
EGFR P00533 1/20 0.38
HMOX2 P30519 1/20 0.38
CRYZ Q08257 1/20 0.38
VAT1 Q99536 1/20 0.38
RTN4 Q9NQC3 1/20 0.38
SLC6A3 Q01959 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP3A5 P20815 1/20 0.36
CYP3A7 P24462 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP3A43 Q9HB55 1/20 0.36

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
SCHEMBL18153434 0.90 KRAS (0.41) KRASCFDEGFRHMOX2CRYZ
SCHEMBL18153443 0.87 CFD (0.39) KRASCFDEGFRHMOX2CRYZ
SCHEMBL18128537 0.82 KRAS (0.48) KRASEGFRHMOX2CRYZVAT1
SCHEMBL20010855 0.81 KRAS (0.42) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128527 0.80 KRAS (0.45) KRASCFDEGFRHMOX2CRYZ
SCHEMBL18128714 0.79 KRAS (0.46) KRASCFDEGFRHMOX2CRYZ
SCHEMBL18153473 0.79 KRAS (0.39) KRASCFDCYP3A4CYP2D6CYP3A5
SCHEMBL18128671 0.78 KRAS (0.51) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18153439 0.78 KRAS (0.37) KRASCFDEGFRHMOX2CRYZ
SCHEMBL18153432 0.77 CXCR2 (0.39) KRASCFDEGFRHMOX2CRYZ

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
EP-3283462-B1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2020-12-02 EP disclosed
US-10428064-B2 Fused-tricyclic inhibitors of KRAS and methods of use thereof ARAXES PHARMA LLC (US) 2019-10-01 US disclosed
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-03-29 US disclosed
EP-3283462-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF Araxes Pharma LLC (US) 2018-02-21 EP disclosed
WO-2016168540-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2016-10-20 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 (2 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-10428064-B2 Fused-tricyclic inhibitors of KRAS and methods of use thereof KRAS, NRAS, HRAS KRAS 1/4885CFD 3702/4885EGFR 134/4885
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KRAS 1/4885CFD 3702/4885EGFR 134/4885

“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.