SCHEMBL19019381

SCHEMBL19019381

CC(C#N)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.57
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
BTK Q06187 2/20 0.48
JAK3 P52333 1/20 0.48
KDM4D Q6B0I6 9/20 0.43
HSD11B1 P28845 2/20 0.41
CYP2C9 P11712 1/20 0.41
MAP4K4 O95819 2/20 0.40
KCNA3 P22001 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSH P09668 1/20 0.39

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
SCHEMBL10017895 0.85 CA1 (0.59) CTSKCA1CA2BTKJAK3
SCHEMBL13199876 0.85 CA1 (0.59) CTSKCA1CA2BTKJAK3
SCHEMBL12026537 0.85 CA1 (0.59) CTSKCA1CA2BTKJAK3
SCHEMBL26109825 0.82 CA1 (0.55) CTSKCA1CA2BTKJAK3
SCHEMBL26093192 0.81 CA1 (0.57) CTSKCA1CA2BTKJAK3
SCHEMBL19725934 0.79 CTSK (0.84) CTSKCA1CA2BTKJAK3
SCHEMBL25819285 0.79 CA1 (0.54) CTSKCA1CA2BTKJAK3
SCHEMBL17789650 0.78 CA1 (0.52) CTSKCA1CA2BTKJAK3
SCHEMBL22862910 0.77 CA1 (0.61) CTSKCA1CA2BTKJAK3
SCHEMBL21779949 0.77 CTSK (0.59) CTSKCA1CA2BTKKDM4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2017-06-22 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 (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-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 CTSK 1432/4885CA1 4273/4885CA2 2465/4885

“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.