SCHEMBL21733135

SCHEMBL21733135

CC(=O)NC1(C)CCCN(C(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
PARP1 P09874 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL24952722 0.90 PARP1 (0.34) PARP1
SCHEMBL24952584 0.82 PARP1 (0.31) PARP1
SCHEMBL16304087 0.79 DRD2 (0.37) CYP2D6PARP1ALDH1A1
SCHEMBL20215879 0.77 USP2 (0.42) SLC6A9CYP2D6CYP2C9USP2CYP3A4
SCHEMBL29571630 0.75 EPHX2 (0.33) CYP1A2CYP2D6CYP2C9USP2CYP3A4
SCHEMBL22446662 0.74 FFAR3 (0.41) SLC6A9CYP1A2CYP2D6CYP2C9USP2
SCHEMBL27420501 0.72
SCHEMBL4473518 0.72 LIPE (0.33) CYP2D6
SCHEMBL1446029 0.71 HTT (0.38) CYP3A4ALDH1A1
SCHEMBL9613245 0.71

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 SLC6A9 4106/4885CYP1A2 3675/4885CYP2D6 3470/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 SLC6A9 4110/4885CYP1A2 3559/4885CYP2D6 3420/4885

“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.