SCHEMBL20314945

SCHEMBL20314945

CCCN(C/C=C/C(=O)C(C)C)CC(=O)N(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL21610076 0.90 CASP1 (0.30)
SCHEMBL20314942 0.84 CYP2D6 (0.37)
SCHEMBL23735951 0.83
SCHEMBL20334574 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL20315001 0.81 CHRNB2 (0.30)
SCHEMBL20314961 0.79 CHRNB2 (0.33)
SCHEMBL20314999 0.78 MCL1 (0.35) ALDH1A1
SCHEMBL20314918 0.77 CHRNB2 (0.31)
SCHEMBL18904824 0.75 FLT3 (0.32)
SCHEMBL21567347 0.74 ALDH1A1 (0.46) ALDH1A1

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-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-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2022-04-21 US disclosed
US-11285135-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2022-03-29 US disclosed
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES ERASCA, INC. 2021-09-23 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-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2021-01-14 US disclosed
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 US disclosed
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2020-02-20 US disclosed
US-10519146-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2019-12-31 US 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-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES DHFR, TYMS, TYMP ALDH1A1 564/4885
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES SDHB, CCNI, SDHA ALDH1A1 638/4885
US-10519146-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 4162/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 3939/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 2150/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4155/4885

“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.