SCHEMBL16102029

SCHEMBL16102029

COc1cc(Cl)c(-c2ccccc2Cl)cc1C(=O)N1CCN(C(=O)/C=C/CN(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TXK P42681 1/20 0.48
▸ BTK Q06187 1/20 0.48
▸ ITK Q08881 1/20 0.48
▸ KRAS P01116 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ ITGAL P20701 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ CCNK O75909 1/20 0.40

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
SCHEMBL16102030 1.00 TXK (0.48) TXKBTKITKKRASCRBN
SCHEMBL16100491 0.87 MAPT (0.42) TXKBTKITKALOX15TSHR
SCHEMBL16100490 0.87 MAPT (0.42) TXKBTKITKALOX15TSHR
SCHEMBL16099940 0.85 ALDH1A1 (0.47) TXKBTKITKKRASALDH1A1
SCHEMBL17800784 0.82 BTK (0.40) TXKBTKITKITGALMAPT
SCHEMBL17800783 0.82 BTK (0.40) TXKBTKITKITGALMAPT
SCHEMBL31672378 0.82 BTK (0.40) TXKBTKITKITGALMAPT
SCHEMBL26764213 0.81 ALDH1A1 (0.62) BTKALDH1A1HPGDNPC1ALOX15
SCHEMBL16099343 0.81 ALDH1A1 (0.50) ALDH1A1HPGDNPC1ALOX15TSHR
SCHEMBL17643349 0.81 ALDH1A1 (0.47) ALDH1A1HPGDNPC1ALOX15TSHR

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 22 patents — showing the first 20. 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
EP-3193851-B1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-10-21 — — EP disclosed
EP-3193851-B1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-10-21 — — EP 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-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 (6 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 TXK 1412/4885BTK 1980/4885ITK 3861/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TXK 1412/4885BTK 1980/4885ITK 3861/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TXK 1412/4885BTK 1980/4885ITK 3861/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS TXK 3501/4885BTK 2500/4885ITK 4148/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS TXK 1412/4885BTK 1980/4885ITK 3861/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS TXK 1412/4885BTK 1980/4885ITK 3861/4885

“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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