SCHEMBL16122492

SCHEMBL16122492

CCc1cc(Cl)c(Cl)cc1NCC(=O)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 3/20 0.42
▸ GAA P10253 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.38
▸ TPSAB1 Q15661 1/20 0.37
▸ TPSD1 Q9BZJ3 1/20 0.37
▸ TPSG1 Q9NRR2 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ HTR2C P28335 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CDK8 P49336 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ JAK2 O60674 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
SCHEMBL16093722 0.85 KRAS (0.46) KRASGAARAB9AALDH1A1
SCHEMBL15337865 0.83 KRAS (0.49) KRASGAAHSP90AA1TPSAB1TPSD1
SCHEMBL16102509 0.82 KRAS (0.61) KRASGAAKMT2ARAB9A
SCHEMBL16098893 0.79 MEN1 (0.43) KRASGAAKMT2A
SCHEMBL16122845 0.75 KRAS (0.77) KRASGAA
SCHEMBL15337759 0.74 KRAS (0.44) KRASGAABTK
SCHEMBL16122494 0.74 ALDH1A1 (0.36) KMT2AALDH1A1
SCHEMBL16122663 0.73 KRAS (0.58) KRASJAK3
SCHEMBL16122797 0.73 KRAS (0.67) KRASGAAFGFR1JAK3BTK
SCHEMBL16122363 0.72 KRAS (0.61) KRASGAAKMT2ARAB9A

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 7 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-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 (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 1/4885GAA 1747/4885HSP90AA1 620/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885HSP90AA1 620/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885HSP90AA1 620/4885

“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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