SCHEMBL16117745

SCHEMBL16117745

C=CC(=O)N1CCN(C(=O)CNc2ccc(Cl)c3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 5/20 0.57
▸ TGM2 P21980 4/20 0.43
▸ SCD O00767 2/20 0.40
▸ GPR183 P32249 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ TET3 O43151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FBXL19 Q6PCT2 1/20 0.38
▸ CXXC5 Q7LFL8 1/20 0.38
▸ TET1 Q8NFU7 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.38
▸ CXXC4 Q9H2H0 1/20 0.38
▸ KDM2A Q9Y2K7 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ ACHE P22303 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
SCHEMBL16117768 0.80 CCR8 (0.42) NPY5R
SCHEMBL16122889 0.79 DTYMK (0.49) KMT2AACHE
SCHEMBL16122362 0.78 KRAS (0.66) KRASTGM2SCDGPR183TET3
SCHEMBL16117724 0.78 KRAS (0.54) KRASTGM2SCDGPR183TET3
SCHEMBL16122646 0.78 KRAS (0.54) KRASTGM2SCDGPR183TET3
SCHEMBL17813661 0.77 KRAS (0.53) KRASTGM2SCDGPR183TET3
SCHEMBL25936101 0.77 KRAS (0.71) KRASTET3KMT2AFBXL19CXXC5
SCHEMBL16122363 0.77 KRAS (0.61) KRASTGM2SCDGPR183TET3
SCHEMBL15337874 0.76 KRAS (0.82) KRASSCDGPR183TET3KMT2A
SCHEMBL16103636 0.76 KRAS (0.69) KRASSCDACHE

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 14 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-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-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-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-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 — — US disclosed
WO-2014152588-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2014-09-25 — — WO disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 — — 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 1/4885TGM2 816/4885SCD 3822/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885TGM2 816/4885SCD 3822/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885TGM2 816/4885SCD 3822/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS KRAS 1/4885TGM2 816/4885SCD 3822/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS KRAS 1/4885TGM2 816/4885SCD 3822/4885

“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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