SCHEMBL16099983

SCHEMBL16099983

CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)CNc3cc(Br)c(Cl)cc3C(N)=O)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 2/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ FNTA P49354 2/20 0.34
▸ FNTB P49356 2/20 0.34
▸ IDO1 P14902 2/20 0.33
▸ USP30 Q70CQ3 2/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL30642301 1.00 KRAS (0.45) KRASIRAK4FNTAFNTBIDO1
SCHEMBL16122588 0.88 KRAS (0.44) KRASFNTAFNTBUSP30MEN1
SCHEMBL30642257 0.88 KRAS (0.44) KRASFNTAFNTBUSP30MEN1
SCHEMBL16098252 0.86 KRAS (0.48) KRASIRAK4FNTAFNTB
SCHEMBL16129263 0.81 KRAS (0.68) KRASFNTAFNTBUSP30MEN1
SCHEMBL30642306 0.81 KRAS (0.68) KRASFNTAFNTBUSP30MEN1
SCHEMBL16093602 0.77 KRAS (0.46) KRAS
SCHEMBL30642275 0.77 KRAS (0.48) KRASMEN1KMT2A
SCHEMBL16098954 0.77 KRAS (0.48) KRASMEN1KMT2A
SCHEMBL16102313 0.77 KRAS (0.46) KRAS

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-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 — — US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 — — US disclosed
WO-2016044772-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2016-03-24 — — WO disclosed
EP-2970121-A1 COVALENT INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2016-01-20 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 1/4885IRAK4 3320/4885FNTA 442/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885IRAK4 3320/4885FNTA 442/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS KRAS 1/4885IRAK4 1252/4885FNTA 1423/4885

“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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