SCHEMBL20147316

SCHEMBL20147316

CC1CCN(C(C)C)CC1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.44
HRH3 Q9Y5N1 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HSD11B1 P28845 2/20 0.38
CYP2C9 P11712 1/20 0.38
BTK Q06187 1/20 0.38
KDM4D Q6B0I6 4/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM1A O60341 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35

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
SCHEMBL20069569 0.86 CTSK (0.42) CTSKHRH3CA1CA2HSD11B1
SCHEMBL20147501 0.84 CTSK (0.43) CTSKHRH3CA1CA2HSD11B1
SCHEMBL12026411 0.82 CTSK (0.59) CTSKHRH3CA1CA2HSD11B1
SCHEMBL21779949 0.82 CTSK (0.59) CTSKHRH3CA1CA2HSD11B1
SCHEMBL14024975 0.82 CTSK (0.59) CTSKHRH3CA1CA2HSD11B1
SCHEMBL20147483 0.82 CTSK (0.41) CTSKHRH3CA1CA2HSD11B1
SCHEMBL20626705 0.79 CTSK (0.40) CTSKHRH3CA1CA2HSD11B1
SCHEMBL1456569 0.79 CTSK (0.55) CTSKHRH3CA1CA2HSD11B1
SCHEMBL25872149 0.78 CTSK (0.39) CTSKHRH3CA1CA2HSD11B1
SCHEMBL14197959 0.78 CTSK (0.45) CTSKCA1CA2HSD11B1CYP2C9

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-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CTSK 3569/4885HRH3 1000/4885CA1 2831/4885

“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.