SCHEMBL20314946

SCHEMBL20314946

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 7/20 0.33
JAK3 P52333 3/20 0.33
OPRK1 P41145 1/20 0.32
EGFR P00533 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
SCHEMBL20314921 0.87 TEAD1 (0.34) TEAD1JAK3OPRK1EGFR
SCHEMBL25839519 0.85 JAK3 (0.34) TEAD1JAK3OPRK1
SCHEMBL20314864 0.85 JAK3 (0.34) TEAD1JAK3OPRK1
SCHEMBL20314873 0.85 JAK3 (0.41) TEAD1JAK3OPRK1
SCHEMBL23544836 0.85 JAK3 (0.41) TEAD1JAK3OPRK1
SCHEMBL23308477 0.83 TEAD1 (0.37) TEAD1JAK3OPRK1
SCHEMBL20314912 0.82 KMT2A (0.44)
SCHEMBL23544835 0.82 JAK3 (0.35) TEAD1JAK3OPRK1
SCHEMBL20314896 0.82 JAK3 (0.33) TEAD1JAK3OPRK1EGFR
SCHEMBL21610085 0.82 JAK3 (0.34) TEAD1JAK3OPRK1

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 11 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-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
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-10988485-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-04-27 US disclosed
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 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
WO-2018119183-A2 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 WO 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 (6 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 TEAD1 852/4885JAK3 309/4885OPRK1 2664/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TEAD1 1658/4885JAK3 3267/4885OPRK1 4769/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS TEAD1 792/4885JAK3 3508/4885OPRK1 4663/4885
US-10988485-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS TEAD1 2412/4885JAK3 3209/4885OPRK1 4796/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TEAD1 2412/4885JAK3 3209/4885OPRK1 4796/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TEAD1 2412/4885JAK3 3209/4885OPRK1 4796/4885

“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.