SCHEMBL21610084

SCHEMBL21610084

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA4 P22748 3/20 0.49
CA9 Q16790 3/20 0.49
KRAS P01116 1/20 0.37
TEAD1 P28347 2/20 0.35
TEAD3 Q99594 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRK1 P41145 1/20 0.33
JAK3 P52333 6/20 0.33

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
SCHEMBL23444401 0.87 JAK3 (0.39) CA1CA2CA4CA9KRAS
SCHEMBL23446088 0.83 JAK3 (0.40) CA1CA2CA4CA9OPRK1
SCHEMBL23444394 0.83 JAK3 (0.40) CA1CA2CA4CA9OPRK1
SCHEMBL23278104 0.82 TEAD1 (0.34) CA1CA2CA4CA9KRAS
SCHEMBL23583942 0.81 JAK3 (0.36) CA1CA2CA4CA9JAK3
SCHEMBL22967432 0.80 TEAD1 (0.36) CA1CA2CA4CA9KRAS
SCHEMBL20314912 0.80 KMT2A (0.44) MEN1KMT2A
SCHEMBL23735961 0.79 JAK3 (0.39) CA1CA2CA4CA9TEAD1
SCHEMBL21610085 0.79 JAK3 (0.34) CA1CA2CA4CA9TEAD1
SCHEMBL23444404 0.79 JAK3 (0.39) CA1CA2CA4CA9TEAD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2021-01-14 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 (2 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 CA1 2659/4885CA2 2465/4885CA4 3027/4885
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CA1 2659/4885CA2 2465/4885CA4 3027/4885

“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.