SCHEMBL23898960

SCHEMBL23898960

Cc1nc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cc(C(=O)N2CCN(C3(c4ccccc4)CC3)CC2)c1C

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F11 P03951 6/20 0.73
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SPR P35270 4/20 0.43
ALDH1A1 P00352 8/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH2 P05091 1/20 0.40
ALDH1A3 P47895 1/20 0.40

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
SCHEMBL30434377 1.00 F11 (0.73) F11CA12CA1CA2CA9
SCHEMBL23898959 0.88 F11 (0.77) F11CA12CA1CA2CA9
SCHEMBL30434789 0.88 F11 (0.77) F11CA12CA1CA2CA9
SCHEMBL26140287 0.85 F11 (0.56) F11CA12CA1CA2CA9
SCHEMBL30434722 0.84 F11 (1.00) F11CA12CA1CA2CA9
SCHEMBL23898957 0.84 F11 (1.00) F11CA12CA1CA2CA9
SCHEMBL23899095 0.84 F11 (1.00) F11CA12CA1CA2CA9
SCHEMBL23898958 0.82 F11 (0.77) F11
SCHEMBL23899055 0.80 F11 (0.72) F11CA12CA1CA2CA9
SCHEMBL23899096 0.78 F11 (0.69) F11CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147170-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-05-11 US disclosed
US-20230147170-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-05-11 US disclosed
US-20230147170-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-05-11 US disclosed
WO-2021202254-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-07 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 (1 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-20230147170-A1 FACTOR XI ACTIVATION INHIBITORS F11, TFPI, F13B F11 1/4885CA12 1938/4885CA1 2074/4885

“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.