SCHEMBL16122859

SCHEMBL16122859

O=C(O)CNc1c(Cl)ccc2nsnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ ALDH1A1 P00352 7/20 0.51
▸ HPGD P15428 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ CASP1 P29466 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ PPARG P37231 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ NCOA2 Q15596 1/20 0.51
▸ NCOA1 Q15788 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ NCOA3 Q9Y6Q9 1/20 0.51
▸ GAA P10253 3/20 0.51
▸ BLM P54132 1/20 0.50
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ ADRA2A P08913 2/20 0.47
▸ CRHBP P24387 1/20 0.46

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
SCHEMBL16122860 0.81 ALDH1A1 (0.55) TP53RAB9AALDH1A1HPGDKDM4E
SCHEMBL16122857 0.78 ADRA2A (0.45) TP53RAB9AALDH1A1HPGDKDM4E
SCHEMBL16117723 0.76 KRAS (0.47) TP53RAB9AALDH1A1HPGDKDM4E
SCHEMBL19997129 0.73 BLM (0.42) TP53RAB9AALDH1A1GAABLM
Tizanidine SCHEMBL28208206 0.72 ADRA2A (0.82) TP53RAB9AALDH1A1HSD17B10NPSR1
Tizanidine SCHEMBL2472243 0.71 ADRA2A (0.80) TP53RAB9AALDH1A1HSD17B10NPSR1
Tizanidine SCHEMBL2472595 0.71 ADRA2A (0.80) TP53RAB9AALDH1A1HSD17B10NPSR1
Tizanidine SCHEMBL2473401 0.71 ADRA2A (0.80) TP53RAB9AALDH1A1HSD17B10NPSR1
Tizanidine SCHEMBL2471060 0.70 ADRA2A (0.79) TP53RAB9AALDH1A1HSD17B10NPSR1
SCHEMBL8365425 0.70 KMT2A (0.50) LMNAADRA1A

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 8 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
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 TP53 7/4885RAB9A 83/4885ALDH1A1 2706/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TP53 7/4885RAB9A 83/4885ALDH1A1 2706/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TP53 7/4885RAB9A 83/4885ALDH1A1 2706/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS TP53 7/4885RAB9A 83/4885ALDH1A1 2706/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS TP53 7/4885RAB9A 83/4885ALDH1A1 2706/4885

“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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