SCHEMBL16122529

SCHEMBL16122529

C=CC(=O)N1CCN(C(=O)CNc2cc(C)c(Cl)cc2C#N)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 5/20 0.54
▸ TBK1 Q9UHD2 4/20 0.36
▸ ERBB2 P04626 4/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ EGFR P00533 2/20 0.34
▸ SCD O00767 1/20 0.34
▸ BCL2A1 Q16548 1/20 0.34

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
SCHEMBL16122615 0.86 KRAS (0.61) KRASGAAMAPT
SCHEMBL16122818 0.84 KRAS (0.75) KRASGAAMAPTSCD
SCHEMBL20260214 0.84 KRAS (0.61) KRASGAAMAPT
SCHEMBL16122679 0.83 KRAS (0.57) KRASGAAMAPTEGFR
SCHEMBL16122609 0.82 KRAS (0.71) KRASGAAMAPTSCD
SCHEMBL25936148 0.81 KRAS (0.55) KRASGAAMAPT
SCHEMBL16122366 0.81 KRAS (0.71) KRASTBK1ERBB2EGFRSCD
SCHEMBL20381549 0.80 KRAS (0.62) KRASGAAMAPT
SCHEMBL16094015 0.77 KRAS (0.62) KRASTBK1ERBB2EGFRSCD
SCHEMBL16122362 0.76 KRAS (0.66) KRASGAASCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3401314-B1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-11-08 — — EP disclosed
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 1/4885TBK1 1850/4885ERBB2 491/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885TBK1 1850/4885ERBB2 491/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885TBK1 1850/4885ERBB2 491/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS KRAS 1/4885TBK1 1850/4885ERBB2 491/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS KRAS 1/4885TBK1 1850/4885ERBB2 491/4885

“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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