SCHEMBL16122689

SCHEMBL16122689

C=CC(=O)N1CCN(C(=O)CNc2cc(-c3ccccc3F)c(Cl)cc2OC)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 11/20 0.48
▸ GAA P10253 1/20 0.43
▸ EGFR P00533 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SCD O00767 1/20 0.39
▸ RIPK2 O43353 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ RET P07949 1/20 0.38
▸ MET P08581 1/20 0.38
▸ EPHB2 P29323 1/20 0.38
▸ TEC P42680 1/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ EPHA4 P54764 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ TNK1 Q13470 1/20 0.38
▸ RIPK3 Q9Y572 1/20 0.38

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
SCHEMBL16117782 0.93 KRAS (0.46) KRASGAAEGFRSCDRIPK2
SCHEMBL16122735 0.92 KRAS (0.43) KRASEGFRALDH1A1KDM4EKMT2A
SCHEMBL30104233 0.92 KRAS (0.53) KRASGAAEGFRKMT2ASCD
SCHEMBL16117727 0.92 KRAS (0.50) KRASGAAEGFRKMT2ASCD
SCHEMBL16102800 0.92 KRAS (0.53) KRASGAAEGFRKMT2ASCD
SCHEMBL16117734 0.90 KRAS (0.48) KRASGAAEGFRKMT2ASCD
SCHEMBL16122630 0.89 KRAS (0.48) KRASGAAEGFRKMT2ASCD
SCHEMBL16122601 0.88 KRAS (0.48) KRASGAAEGFRSCDRIPK2
SCHEMBL16122720 0.88 KRAS (0.48) KRASGAAEGFRSCDRIPK2
SCHEMBL16122843 0.88 KRAS (0.51) KRASGAAEGFRKMT2ASCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 — — US disclosed
US-10273207-B2 Covalent inhibitors of kras G12C ARAXES PHARMA LLC (US) 2019-04-30 — — US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 — — US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 — — US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 — — US disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 — — US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 — — 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 (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-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885EGFR 966/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885EGFR 966/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885EGFR 966/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885EGFR 966/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885EGFR 966/4885

“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.

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