SCHEMBL30434722

SCHEMBL30434722

Cc1nc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cc(C(=O)N2CCC(c3ccccc3)CC2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F11 P03951 6/20 1.00
SCD5 Q86SK9 6/20 0.46
SPR P35270 4/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SCD O00767 2/20 0.42
ALDH1A1 P00352 3/20 0.41
ALDH2 P05091 1/20 0.41
ALDH1A3 P47895 1/20 0.41

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
SCHEMBL23898957 1.00 F11 (1.00) F11SCD5SPRCA12CA1
SCHEMBL23899095 0.88 F11 (1.00) F11SPRCA12CA1CA2
SCHEMBL30434789 0.87 F11 (0.77) F11SCD5SPRCA12CA1
SCHEMBL23898959 0.87 F11 (0.77) F11SCD5SPRCA12CA1
SCHEMBL23898958 0.87 F11 (0.77) F11
SCHEMBL30434910 0.85 F11 (1.00) F11SCD5SPRCA12CA1
SCHEMBL23899081 0.85 F11 (1.00) F11SCD5SPRCA12CA1
SCHEMBL30434377 0.84 F11 (0.73) F11SPRCA12CA1CA2
SCHEMBL23898960 0.84 F11 (0.73) F11SPRCA12CA1CA2
SCHEMBL23899055 0.84 F11 (0.72) F11SPRCA12CA1CA2

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-12492187-B2 Factor XI activation inhibitors MERCK SHARP & DOHME LLC (US) 2025-12-09 US claimed
US-12492187-B2 Factor XI activation inhibitors MERCK SHARP & DOHME LLC (US) 2025-12-09 US disclosed
US-20230147170-A1 FACTOR XI ACTIVATION INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-05-11 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-12492187-B2 Factor XI activation inhibitors F11, TFPI, F13B F11 1/4885SCD5 2070/4885SPR 2340/4885
US-20230147170-A1 FACTOR XI ACTIVATION INHIBITORS F11, TFPI, F13B F11 1/4885SCD5 2070/4885SPR 2340/4885

“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.