SCHEMBL20109703

SCHEMBL20109703

CC(C)(C)OC(=O)N1CCN(c2nc(C(N)=O)nc3c(F)c(-c4cccc5cc(O)ccc45)c(Cl)cc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 9/20 0.44
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
EGFR P00533 1/20 0.39
HMOX2 P30519 1/20 0.39
CRYZ Q08257 1/20 0.39
VAT1 Q99536 1/20 0.39
RTN4 Q9NQC3 1/20 0.39
GRIA1 P42261 1/20 0.38
CRBN Q96SW2 1/20 0.37
KIT P10721 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CXCR2 P25025 1/20 0.36
GBA1 P04062 2/20 0.36
PARP1 P09874 1/20 0.36
TLR9 Q9NR96 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
SCHEMBL16636606 0.92 KRAS (0.53) KRASSMARCA2SMARCA4PBRM1CNR1
SCHEMBL29765860 0.92 KRAS (0.53) KRASSMARCA2SMARCA4PBRM1CNR1
SCHEMBL20109704 0.86 KRAS (0.56) KRASEGFRHMOX2CRYZVAT1
SCHEMBL17030876 0.83 SMARCA2 (0.43) KRASSMARCA2SMARCA4PBRM1GRIA1
SCHEMBL18128438 0.82 KRAS (0.45) KRASEGFRHMOX2CRYZVAT1
SCHEMBL20858007 0.81 TLR9 (0.41) SMARCA2SMARCA4PBRM1CNR1CNR2
SCHEMBL29765694 0.80 KCNH2 (0.40) SMARCA2SMARCA4PBRM1CNR1CNR2
SCHEMBL16637457 0.80 KCNH2 (0.40) SMARCA2SMARCA4PBRM1CNR1CNR2
SCHEMBL16636866 0.80 KRAS (0.55) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21458461 0.78 KRAS (0.51) KRASCNR1CNR2CRBNGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2019-08-06 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

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-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885SMARCA2 1445/4885SMARCA4 1871/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885SMARCA2 1359/4885SMARCA4 1974/4885

“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.