SCHEMBL16102509

SCHEMBL16102509

C=CC(=O)N1CCN(C(=O)CNc2cc(Cl)c(Cl)cc2CC)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 9/20 0.61
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.35
▸ GPR183 P32249 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ STAT3 P40763 1/20 0.34
▸ TET3 O43151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FBXL19 Q6PCT2 1/20 0.34
▸ CXXC5 Q7LFL8 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ CXXC4 Q9H2H0 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TGM2 P21980 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL16122363 0.90 KRAS (0.61) KRASGAARAB9AGPR183OPRK1
SCHEMBL16122845 0.89 KRAS (0.77) KRASGAAOPRK1
SCHEMBL16122663 0.88 KRAS (0.58) KRASOPRK1
SCHEMBL16122362 0.87 KRAS (0.66) KRASGAARAB9AGPR183OPRK1
SCHEMBL16122797 0.86 KRAS (0.67) KRASGAAOPRK1
SCHEMBL20381549 0.86 KRAS (0.62) KRASGAARAB9AGPR183OPRK1
SCHEMBL16102561 0.86 KRAS (0.54) KRASGAAMAPTMAPK1
SCHEMBL16093722 0.86 KRAS (0.46) KRASGAARAB9ASTAT3MAPT
SCHEMBL15337874 0.85 KRAS (0.82) KRASGAAGPR183OPRK1TET3
SCHEMBL16122838 0.84 KRAS (0.73) KRASGAA

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 11 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
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
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 1747/4885RAB9A 83/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885RAB9A 83/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885RAB9A 83/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885RAB9A 83/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885RAB9A 83/4885

“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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