SCHEMBL21610085

SCHEMBL21610085

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.34
TEAD1 P28347 8/20 0.33
OPRK1 P41145 1/20 0.33
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA4 P22748 4/20 0.32
CA9 Q16790 4/20 0.32
BTK Q06187 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
SCHEMBL23278104 0.84 TEAD1 (0.34) JAK3TEAD1OPRK1CA1CA2
SCHEMBL23444394 0.82 JAK3 (0.40) JAK3OPRK1CA1CA2CA4
SCHEMBL23446088 0.82 JAK3 (0.40) JAK3OPRK1CA1CA2CA4
SCHEMBL20314946 0.82 TEAD1 (0.33) JAK3TEAD1OPRK1
SCHEMBL23323369 0.80 TEAD1 (0.37) JAK3TEAD1OPRK1CA1CA2
SCHEMBL21610084 0.79 CA1 (0.49) JAK3TEAD1OPRK1CA1CA2
SCHEMBL23444401 0.79 JAK3 (0.39) JAK3TEAD1OPRK1CA1CA2
SCHEMBL23323368 0.79 JAK3 (0.35) JAK3TEAD1BTK
SCHEMBL23444404 0.78 JAK3 (0.39) JAK3TEAD1OPRK1CA1CA2
SCHEMBL23735961 0.78 JAK3 (0.39) JAK3TEAD1OPRK1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11285135-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2022-03-29 US disclosed
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 US disclosed
US-10519146-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2019-12-31 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 (3 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-10519146-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS JAK3 3209/4885TEAD1 2412/4885OPRK1 4796/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS JAK3 3267/4885TEAD1 1658/4885OPRK1 4769/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS JAK3 3508/4885TEAD1 792/4885OPRK1 4663/4885

“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.