SCHEMBL21159017

SCHEMBL21159017

COc1ccc(S(=O)(=O)N2CC23CCN(S)CC3)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.46
FAAH O00519 1/20 0.37
NAAA Q02083 1/20 0.37
KCNH2 Q12809 1/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TNF P01375 1/20 0.34
GCK P35557 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL20153188 0.89 RET (0.47) RETFAAHNAAAKCNH2NPC1
SCHEMBL20070949 0.88 RET (0.46) RETFAAHNAAAKCNH2NPC1
SCHEMBL23555337 0.87 RET (0.46) RETFAAHNAAAKCNH2NPC1
SCHEMBL22031245 0.86 RET (0.49) RETFAAHNAAAKCNH2KDM4E
SCHEMBL20148756 0.86 RET (0.45) RETFAAHNAAAKCNH2NPC1
SCHEMBL23126248 0.73 PKM (0.44) RETALDH1A1L3MBTL1
SCHEMBL21925711 0.72 POLB (0.59) HTTKDM4EALDH1A1L3MBTL1GAA
SCHEMBL21159105 0.71 GPR183 (0.52) RETKCNH2
SCHEMBL20153278 0.69 NPC1 (0.54) FAAHNAAANPC1HTTSMN1; SMN2
SCHEMBL4551548 0.69 KMT2A (0.51) KCNH2NPC1HTTSMN1; SMN2KDM4E

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-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ELI LILLY AND COMPANY (US) 2020-02-11 US disclosed
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-06-20 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-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF RET 1/4885FAAH 4848/4885NAAA 4631/4885
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885FAAH 4848/4885NAAA 4631/4885

“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.