SCHEMBL21733145

SCHEMBL21733145

CCCN1CCC2(CC1)CC(N)C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
DRD2 P14416 5/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 2/20 0.32
EPHX2 P34913 2/20 0.32
SPHK1 Q9NYA1 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
DRD3 P35462 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL24308819 0.83 TSHR (0.43) KDM4ETSHRCYP2D6
SCHEMBL21107507 0.80 KDM4E (0.43) KDM4EDRD2TSHRCYP1A2CYP2D6
SCHEMBL22848872 0.80 KDM4E (0.39) KDM4EDRD2TSHREPHX1EPHX2
SCHEMBL14942381 0.80 KDM4E (0.42) KDM4EDRD2EPHX1EPHX2SPHK1
SCHEMBL24673601 0.78 KDM4E (0.38) KDM4EDRD2EPHX1EPHX2CYP1A2
SCHEMBL18517408 0.78 OPRM1 (0.44) GNAI3GNAO1GNAI1DRD2TSHR
SCHEMBL24764885 0.77 KDM4E (0.37) KDM4EDRD2DRD3
SCHEMBL25090173 0.77 KDM4E (0.37) KDM4EDRD2EPHX1EPHX2CYP1A2
SCHEMBL29324697 0.77 CYP1A2 (0.46) KDM4EDRD2EPHX1EPHX2CYP1A2
SCHEMBL17888424 0.76 TSHR (0.32) TSHR

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 KDM4E 955/4885GNAI3 620/4885GNAO1 1226/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 KDM4E 936/4885GNAI3 629/4885GNAO1 1290/4885

“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.