SCHEMBL21543039

SCHEMBL21543039

O=c1[nH]c(=O)n(-c2ccccc2S(F)(F)(F)(F)F)c2nc(Cl)c(Cl)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
MAT2A P31153 6/20 0.33
ALDH1A1 P00352 2/20 0.32
HSP90AA1 P07900 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
APAF1 O14727 1/20 0.32
TDP2 O95551 1/20 0.32
CDC25B P30305 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL21543672 0.82 HCAR1 (0.43) ALDH1A1HSP90AA1KDM4EHTTMAPT
SCHEMBL21542978 0.80 HCAR1 (0.49) MAT2AALDH1A1HSP90AA1PDE9AHCAR1
SCHEMBL30762709 0.79 KRAS (0.39) MAT2APDE9APDE1CHCAR1
SCHEMBL30170695 0.79 KRAS (0.36) MAT2AALDH1A1HSP90AA1KDM4EHTT
SCHEMBL20560391 0.79 KRAS (0.36) MAT2AALDH1A1HSP90AA1KDM4EHTT
SCHEMBL21542680 0.79 KRAS (0.39) MAT2APDE9APDE1CHCAR1
SCHEMBL24502808 0.78 KRAS (0.37) MAT2AALDH1A1HSP90AA1KDM4EHTT
SCHEMBL23272717 0.73 DUT (0.36) ALDH1A1PDE9APDE1CMAPT
SCHEMBL29823406 0.73 DUT (0.36) ALDH1A1PDE9APDE1CMAPT
SCHEMBL21542738 0.71 NPEPPS (0.45) ALDH1A1KDM4EHTTPDE9AMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 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-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS MAPK13 962/4885MAPK12 1616/4885MAPK11 950/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS MAPK13 962/4885MAPK12 1616/4885MAPK11 950/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS MAPK13 962/4885MAPK12 1616/4885MAPK11 950/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS MAPK13 962/4885MAPK12 1616/4885MAPK11 950/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS MAPK13 962/4885MAPK12 1616/4885MAPK11 950/4885

“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.