SCHEMBL21733136

SCHEMBL21733136

CCCN1CCCC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CTSK P43235 2/20 0.51
BTK Q06187 2/20 0.48
JAK3 P52333 1/20 0.45
CYP2C9 P11712 1/20 0.44
HSD11B1 P28845 1/20 0.44
EPHX1 P07099 1/20 0.43
DRD2 P14416 3/20 0.42
KCNA3 P22001 1/20 0.42
MAP4K4 O95819 2/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CACNA1H O95180 1/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
GAA P10253 1/20 0.41
KDM2B Q8NHM5 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
SCHEMBL29255478 1.00 CA1 (0.56) CA1CA2CTSKBTKJAK3
SCHEMBL13102166 0.92 CTSK (0.57) CA1CA2CTSKBTKCYP2C9
SCHEMBL10280626 0.92 CTSK (0.57) CA1CA2CTSKBTKCYP2C9
SCHEMBL13102176 0.92 CTSK (0.57) CA1CA2CTSKBTKCYP2C9
SCHEMBL20377503 0.89 CA1 (0.56) CA1CA2CTSKBTKJAK3
SCHEMBL28673367 0.89 CA1 (0.56) CA1CA2CTSKBTKJAK3
SCHEMBL342772 0.89 CA1 (0.62) CA1CA2CTSKBTKJAK3
SCHEMBL20184622 0.89 CA1 (0.62) CA1CA2CTSKBTKJAK3
SCHEMBL342773 0.89 CA1 (0.62) CA1CA2CTSKBTKJAK3
SCHEMBL31037360 0.88 CA1 (0.55) CA1CA2CTSKBTKJAK3

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-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-11-09 US disclosed
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 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-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 CA1 3306/4885CA2 2484/4885CTSK 3558/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 CA1 3216/4885CA2 2383/4885CTSK 3669/4885

“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.