SCHEMBL21733141

SCHEMBL21733141

Cn1ccc(CN2CCN(SS)CC2)cc1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.36
BRD4 O60885 1/20 0.35
CCL2 P13500 1/20 0.35
FAAH O00519 2/20 0.35
MC4R P32245 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CHKA P35790 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 3/20 0.33

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
SCHEMBL18713014 0.83 MC4R (0.51) MC4RALDH1A1KDM4ECHKALMNA
SCHEMBL18389837 0.82 ALDH1A1 (0.49) BRD4ALDH1A1KDM4ETDP1MEN1
SCHEMBL18713015 0.79 KDM4E (0.40) RETBRD4CCL2FAAHMC4R
SCHEMBL18390124 0.78 KDM4E (0.51) ALDH1A1KDM4ETDP1
SCHEMBL20349564 0.76 RET (0.36) RETBRD4CCL2FAAHMC4R
SCHEMBL21733143 0.73 KDM4E (0.46) RETBRD4CCL2ALDH1A1KDM4E
SCHEMBL20635782 0.71 RET (0.35) RETBRD4CCL2FAAHKDM4E
SCHEMBL20970932 0.68 SIGMAR1 (0.61) ALDH1A1KDM4EMEN1KMT2ASIGMAR1
SCHEMBL20154569 0.68 NCF1 (0.40) ALDH1A1KDM4EHTTLMNA
SCHEMBL20635780 0.68 JAK1 (0.34) RETBRD4CCL2FAAHKDM4E

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 RET 1/4885BRD4 1628/4885CCL2 3727/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 RET 1/4885BRD4 1661/4885CCL2 3709/4885

“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.