SCHEMBL16100490

SCHEMBL16100490

CN(C)C/C=C/C(=O)N1CCN(C(=O)c2cc(-c3ccccc3Cl)c(Cl)cc2O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HSP90AA1 P07900 6/20 0.42
▸ CDK14 O94921 1/20 0.40
▸ CCNY Q8ND76 1/20 0.40
▸ EGFR P00533 3/20 0.40
▸ BTK Q06187 3/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ F2R P25116 1/20 0.38
▸ TXK P42681 1/20 0.37
▸ ITK Q08881 1/20 0.37
▸ JAK3 P52333 1/20 0.37

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
SCHEMBL16100491 1.00 MAPT (0.42) MAPTL3MBTL1HSP90AA1CDK14CCNY
SCHEMBL16102029 0.87 TXK (0.48) MAPTL3MBTL1BTKRAB9AALOX15
SCHEMBL16102030 0.87 TXK (0.48) MAPTL3MBTL1BTKRAB9AALOX15
SCHEMBL17608793 0.83 MAPT (0.41) MAPTL3MBTL1CDK14CCNYEGFR
SCHEMBL17608791 0.83 MAPT (0.41) MAPTL3MBTL1CDK14CCNYEGFR
SCHEMBL31672355 0.83 MAPT (0.41) MAPTL3MBTL1CDK14CCNYEGFR
SCHEMBL16101856 0.82 HSP90AA1 (0.48) HSP90AA1RAB9ALMNATP53ALOX15
SCHEMBL17643350 0.79 BLM (0.49) HSP90AA1RAB9ALMNATP53ALOX15
SCHEMBL17800783 0.79 BTK (0.40) MAPTL3MBTL1CDK14CCNYEGFR
SCHEMBL31672378 0.79 BTK (0.40) MAPTL3MBTL1CDK14CCNYEGFR

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 20 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-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2019-08-29 — — 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-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 — — US 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
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
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
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 (7 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 MAPT 4316/4885L3MBTL1 745/4885HSP90AA1 620/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS MAPT 4316/4885L3MBTL1 745/4885HSP90AA1 620/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS MAPT 4316/4885L3MBTL1 745/4885HSP90AA1 620/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS MAPT 4271/4885L3MBTL1 1725/4885HSP90AA1 297/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS MAPT 4316/4885L3MBTL1 745/4885HSP90AA1 620/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS MAPT 4271/4885L3MBTL1 1725/4885HSP90AA1 297/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS MAPT 4316/4885L3MBTL1 745/4885HSP90AA1 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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