SCHEMBL21158869

SCHEMBL21158869

COc1ccc(CN2CCCN(S)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
CD274 Q9NZQ7 2/20 0.46
CHKA P35790 3/20 0.45
PIK3CD O00329 3/20 0.43
PIK3CA P42336 3/20 0.43
PIK3CB P42338 3/20 0.43
PIK3CG P48736 3/20 0.43
KDM4E B2RXH2 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
CHEK1 O14757 1/20 0.41
CA2 P00918 1/20 0.40
NCF1 P14598 1/20 0.40
PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL20071088 0.88 CHKA (0.59) TRPV6HRH3CHKAPIK3CDPIK3CA
SCHEMBL23589183 0.86 HRH3 (0.67) TRPV6HRH3CD274PIK3CDPIK3CA
SCHEMBL20148592 0.84 HRH3 (0.53) TRPV6HRH3CD274PIK3CDPIK3CA
SCHEMBL20353469 0.82 HRH3 (0.51) TRPV6HRH3CD274KDM4E
SCHEMBL18713082 0.81 TRPV6 (0.57) TRPV6HRH3CHKAPIK3CDPIK3CA
SCHEMBL18713087 0.81 TRPV6 (0.57) TRPV6HRH3KDM4EJAK2JAK1
SCHEMBL20413614 0.80 TRPV6 (0.56) TRPV6HRH3CD274JAK2JAK1
SCHEMBL20353620 0.80 TRPV6 (0.53) TRPV6HRH3CD274JAK2JAK1
SCHEMBL20970845 0.78 TRPV6 (0.52) TRPV6HRH3JAK2JAK1JAK3
SCHEMBL18390583 0.78 TRPV6 (0.54) TRPV6HRH3KDM4EJAK2JAK1

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 TRPV6 4180/4885HRH3 1148/4885CD274 2514/4885
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF TRPV6 4180/4885HRH3 1148/4885CD274 2514/4885

“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.