SCHEMBL21159016

SCHEMBL21159016

CCN1CCC2(CC1)CN2S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.54
MMP9 P14780 1/20 0.54
MMP13 P45452 1/20 0.54
KDM2B Q8NHM5 1/20 0.54
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
PKLR P30613 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
FAAH O00519 1/20 0.46
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTR6 P50406 1/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 1/20 0.44
RET P07949 1/20 0.44

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
SCHEMBL20626519 0.85 KDM2B (0.51) KDM2BPKMHTTALDH1A1L3MBTL1
SCHEMBL20153278 0.85 NPC1 (0.54) MMP1MMP9MMP13NPC1PKM
SCHEMBL21159015 0.83 MAPT (0.49) HTR6CYP2D6TSHR
SCHEMBL20148748 0.83 MMP1 (0.53) MMP1MMP9MMP13NPC1PKM
SCHEMBL22031245 0.82 RET (0.49) MMP1MMP9MMP13KDM2BLMNA
SCHEMBL20153276 0.82 NPC1 (0.50) NPC1PKMPKLRRAB9ALMNA
SCHEMBL12623954 0.80 L3MBTL1 (0.64) MMP1MMP9MMP13KDM2BNPC1
SCHEMBL12455819 0.75 NPC1 (0.63) NPC1PKMPKLRRAB9ALMNA
SCHEMBL6567668 0.73 MMP9 (0.76) MMP1MMP9MMP13MMP2
SCHEMBL20153275 0.71 ALDH1A1 (0.54) MMP1MMP9MMP13LMNAALDH1A1

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 MMP1 4447/4885MMP9 4577/4885MMP13 4286/4885
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF MMP1 4447/4885MMP9 4577/4885MMP13 4286/4885

“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.