SCHEMBL20314873

SCHEMBL20314873

C=CC(=O)N1CCN(C(C)C)C(CC)C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.41
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 1/20 0.36
OPRK1 P41145 1/20 0.33
TEAD1 P28347 2/20 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
SCHEMBL23544836 1.00 JAK3 (0.41) JAK3PARP1PARP2OPRK1TEAD1
SCHEMBL23544835 0.88 JAK3 (0.35) JAK3OPRK1TEAD1
SCHEMBL20314864 0.88 JAK3 (0.34) JAK3OPRK1TEAD1
SCHEMBL25839519 0.88 JAK3 (0.34) JAK3OPRK1TEAD1
SCHEMBL20314921 0.86 TEAD1 (0.34) JAK3PARP1PARP2OPRK1TEAD1
SCHEMBL20314912 0.85 KMT2A (0.44)
SCHEMBL20314946 0.85 TEAD1 (0.33) JAK3OPRK1TEAD1
SCHEMBL20314896 0.85 JAK3 (0.33) JAK3OPRK1TEAD1
SCHEMBL22881071 0.84 JAK3 (0.35) JAK3PARP1PARP2
SCHEMBL23545019 0.84 JAK3 (0.36) JAK3OPRK1TEAD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790886-B1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2024-06-26 EP disclosed
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2023-07-11 US disclosed
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-02 US 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
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-11045484-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-06-29 US disclosed
US-10988485-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-04-27 US 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-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 (10 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 JAK3 309/4885PARP1 575/4885PARP2 608/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS JAK3 3267/4885PARP1 1041/4885PARP2 707/4885
US-11045484-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS JAK3 3209/4885PARP1 1522/4885PARP2 978/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS JAK3 3508/4885PARP1 1076/4885PARP2 949/4885
US-10988485-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS JAK3 3209/4885PARP1 1522/4885PARP2 978/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS JAK3 3209/4885PARP1 1522/4885PARP2 978/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS JAK3 3209/4885PARP1 1522/4885PARP2 978/4885
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS JAK3 3209/4885PARP1 1522/4885PARP2 978/4885
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS JAK3 559/4885PARP1 2831/4885PARP2 3209/4885
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS JAK3 3476/4885PARP1 1287/4885PARP2 931/4885

“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.