SCHEMBL20314985

SCHEMBL20314985

COCCN(CC(=O)N(C)C)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
CYP2D6 P10635 2/20 0.42
CACNA1B Q00975 1/20 0.39
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP3A4 P08684 1/20 0.30
CHRNB4 P30926 1/20 0.30

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
SCHEMBL21610109 0.87 CYP2D6 (0.41) PIK3CDCYP2D6CACNA1B
SCHEMBL31158094 0.85 CYP2D6 (0.51) PIK3CDCYP2D6CACNA1BCA12CA1
SCHEMBL10283831 0.82 BLM (0.47) PIK3CDCA12CA1CA2CA9
SCHEMBL20334556 0.80 CYP2D6 (0.48) PIK3CDCYP2D6CACNA1BCA12CA1
SCHEMBL20314986 0.80 ALDH1A1 (0.38) CYP2D6CA12CA1CA2CA9
SCHEMBL21794520 0.79 CYP2D6 (0.53) PIK3CDCYP2D6CACNA1BCA12CA1
SCHEMBL18232147 0.77 PIK3CD (0.62) PIK3CDCA12CA1CA2CA9
SCHEMBL20314942 0.74 CYP2D6 (0.37) PIK3CDCYP2D6CACNA1B
SCHEMBL21148619 0.71 PIK3CD (0.56) PIK3CD
SCHEMBL12039753 0.71 PIK3CD (0.56) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4268898-A2 KRAS G12C INHIBITORS FOR TREATING CANCER Amgen Inc. (US) 2023-11-01 EP disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-02 US disclosed
EP-4001269-A1 BENZOISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER Amgen Inc. (US) 2022-05-25 EP disclosed
US-20220002298-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-01-06 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
EP-3558955-B1 BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER AMGEN INC (US) 2021-08-11 EP disclosed
US-11053226-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-07-06 US disclosed
WO-2021081212-A1 PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS KRAS G12C AND KRAS G12D INHIBITORS IN THE TREATMENT OF CANCER AMGEN INC. (US) 2021-04-29 WO disclosed
US-20200165231-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2020-05-28 US disclosed
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2020-02-20 US disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
WO-2018119183-A2 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 WO disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 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 (9 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 PIK3CD 191/4885CYP2D6 4615/4885CACNA1B 4285/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS PIK3CD 191/4885CYP2D6 4615/4885CACNA1B 4285/4885
US-11053226-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS PIK3CD 191/4885CYP2D6 4615/4885CACNA1B 4285/4885
US-20200165231-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS PIK3CD 191/4885CYP2D6 4615/4885CACNA1B 4285/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS PIK3CD 191/4885CYP2D6 4615/4885CACNA1B 4285/4885
US-20220002298-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS PIK3CD 197/4885CYP2D6 4657/4885CACNA1B 4248/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS PIK3CD 191/4885CYP2D6 4615/4885CACNA1B 4285/4885
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS PIK3CD 213/4885CYP2D6 4535/4885CACNA1B 4287/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS PIK3CD 191/4885CYP2D6 4615/4885CACNA1B 4285/4885

“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.