SCHEMBL20154460

SCHEMBL20154460

CC(C)C(O)C(=O)N1CCN(C(C)S)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CHRM1 P11229 2/20 0.33
▸ MMP13 P45452 2/20 0.32
▸ MMP1 P03956 2/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP7 P09237 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ HRH3 Q9Y5N1 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL20070338 0.84 CHRM1 (0.44) ROCK2CYP3A4CHRM1KCNH2HRH3
SCHEMBL18389800 0.78 CYP1A2 (0.48) ROCK2CYP3A4CHRM1ALDH1A1
SCHEMBL8488963 0.77 MMP1 (0.46) ROCK2CYP3A4MMP1MEN1ALDH1A1
SCHEMBL20965480 0.77 EPHX2 (0.35) CHRM1KCNH2HRH3CYP2D6
SCHEMBL20349505 0.77 CHRM1 (0.31) CHRM1ALDH1A1KMT2A
SCHEMBL20353673 0.77 MMP1 (0.38) CHRM1MMP1ALDH1A1MMP2MMP8
SCHEMBL8487739 0.75 MMP1 (0.49) ROCK2CYP3A4MMP1MMP3MMP9
SCHEMBL18963445 0.75 PIK3CD (0.50) CYP3A4ALDH1A1KMT2AKCNH2HRH3
SCHEMBL20160374 0.75 ROCK2 (0.35) ROCK2CYP3A4CHRM1MMP13MMP1
SCHEMBL18704898 0.73 ROCK2 (0.38) ROCK2CYP3A4MMP13MMP1MMP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2024-02-29 — — US disclosed
US-10953005-B1 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-03-23 — — US disclosed
US-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 — — US disclosed
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 — — 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 (4 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-10953005-B1 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF ROCK2 581/4885CYP3A4 3158/4885CHRM1 2284/4885
US-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF ROCK2 581/4885CYP3A4 3158/4885CHRM1 2284/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ROCK2 581/4885CYP3A4 3158/4885CHRM1 2284/4885
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ROCK2 581/4885CYP3A4 3158/4885CHRM1 2284/4885

“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.

Send feedback