SCHEMBL16122826

SCHEMBL16122826

COc1cc(Cl)c(I)cc1NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.50
▸ GAA P10253 1/20 0.45
▸ ALK Q9UM73 3/20 0.44
▸ SUV39H2 Q9H5I1 5/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ PGK1 P00558 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ STS P08842 3/20 0.40
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ TGFBR1 P36897 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
SCHEMBL30642270 1.00 KRAS (0.50) KRASGAAALKSUV39H2ALDH1A1
SCHEMBL16093602 0.92 KRAS (0.46) KRASGAAALKSUV39H2PGK1
SCHEMBL16093845 0.87 KRAS (0.52) KRASGAAALKMEN1KMT2A
SCHEMBL16093858 0.86 KRAS (0.55) KRASGAAALKMEN1KMT2A
SCHEMBL16104934 0.86 KMT5A (0.44) ALKSUV39H2ALDH1A1PGK1
SCHEMBL15337783 0.84 KRAS (0.47) KRASGAAALDH1A1MEN1KMT2A
SCHEMBL16102324 0.83 GAA (0.44) GAAALKSUV39H2ALDH1A1PGK1
SCHEMBL15337910 0.83 KRAS (0.72) KRASGAAALK
SCHEMBL16102313 0.80 KRAS (0.46) KRASGAAALKSUV39H2PGK1
SCHEMBL16093922 0.80 KRAS (0.50) KRASGAAALKALDH1A1MEN1

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 9 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
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 (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 1747/4885ALK 1961/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885ALK 1961/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885ALK 1961/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885ALK 1961/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885ALK 1961/4885

“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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