SCHEMBL21733085

SCHEMBL21733085

CCN1CCN(CC(O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
BLM P54132 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2B Q13224 1/20 0.52
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51

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
SCHEMBL18390893 0.87 GAA (0.71) GAANPSR1GMNNTP53CYP3A4
SCHEMBL18704992 0.84 MEN1 (0.53) GAANPSR1GMNNTP53CYP3A4
SCHEMBL4476580 0.83 KDM4E (0.69) GAANPSR1GMNNTP53CYP3A4
SCHEMBL13122653 0.83 POLB (0.59) GAANPSR1GMNNTP53CYP3A4
SCHEMBL5973113 0.83 POLB (0.59) GAANPSR1GMNNTP53CYP3A4
SCHEMBL20353617 0.83 GMNN (0.49) GAANPSR1GMNNTP53CYP3A4
SCHEMBL18390891 0.80 SLC6A2 (0.58) GAANPSR1GMNNTP53CYP3A4
SCHEMBL4472409 0.80 KDM4E (0.82) GAANPSR1GMNNTP53CYP3A4
SCHEMBL14288313 0.78 ALDH1A1 (0.48) NPSR1TSHRALDH1A1MAPTHPGD
SCHEMBL12219561 0.78 ALDH1A1 (0.48) NPSR1TSHRALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 US disclosed
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 (3 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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 GAA 3356/4885NPSR1 2483/4885GMNN 4411/4885
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 GAA 3356/4885NPSR1 2483/4885GMNN 4411/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 GAA 3426/4885NPSR1 2447/4885GMNN 4432/4885

“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.