SCHEMBL19296802

SCHEMBL19296802

CC(=O)N1CCN(c2ncnc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KRAS P01116 16/20 0.58
EGFR P00533 1/20 0.53
HMOX2 P30519 1/20 0.53
CRYZ Q08257 1/20 0.53
VAT1 Q99536 1/20 0.53
RTN4 Q9NQC3 1/20 0.53
SOS1 Q07889 1/20 0.47
CNR2 P34972 2/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CRBN Q96SW2 1/20 0.41

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
SCHEMBL19296812 0.91 KRAS (0.56) KRASEGFRHMOX2CRYZVAT1
SCHEMBL20340580 0.90 KRAS (0.56) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29715195 0.90 KRAS (0.72) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16647122 0.90 KRAS (0.72) KRASEGFRHMOX2CRYZVAT1
SCHEMBL29765992 0.89 KRAS (0.60) KRASEGFRHMOX2CRYZVAT1
SCHEMBL16647072 0.89 KRAS (0.60) KRASEGFRHMOX2CRYZVAT1
SCHEMBL17026609 0.89 KRAS (0.60) KRASEGFRHMOX2CRYZVAT1
SCHEMBL19296817 0.89 KRAS (0.58) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21459081 0.89 KRAS (0.59) KRASEGFRHMOX2CRYZVAT1
SCHEMBL19296825 0.88 KRAS (0.55) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 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 (4 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS KRAS 1/4885EGFR 3439/4885HMOX2 1325/4885
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL KRAS 242/4885EGFR 2207/4885HMOX2 764/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL KRAS 242/4885EGFR 2207/4885HMOX2 764/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS KRAS 1/4885EGFR 3439/4885HMOX2 1325/4885

“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.