SCHEMBL21733050

SCHEMBL21733050

CCN1CCN(C(=O)C2(C#N)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.49
KDM4E B2RXH2 4/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL16865194 0.85 RET (0.34) HSD11B1
SCHEMBL16838106 0.80 HSD11B1 (0.44) HSD11B1
SCHEMBL1543519 0.79 HSD11B1 (0.44) HSD11B1KDM4E
SCHEMBL18231651 0.77 HSD11B1 (0.39) HSD11B1LMNA
SCHEMBL25840969 0.77 RET (0.34)
SCHEMBL15076640 0.77 RET (0.32)
SCHEMBL20084013 0.77 HSD11B1 (0.32) HSD11B1
SCHEMBL20315421 0.76 HSD11B1 (0.41) HSD11B1
SCHEMBL18855653 0.76 HSD11B1 (0.41) HSD11B1LMNA
SCHEMBL23555650 0.75 OPRD1 (0.39) HSD11B1KDM4E

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 HSD11B1 2467/4885KDM4E 955/4885LMNA 2693/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 HSD11B1 2374/4885KDM4E 936/4885LMNA 2727/4885

“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.