SCHEMBL20148015

SCHEMBL20148015

CC(C)NC(=O)C1(C)CCN(C(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.36
MMP13 P45452 2/20 0.36
MMP1 P03956 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
CYP2D6 P10635 4/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
FFAR3 O14843 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
RET P07949 2/20 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
SCHEMBL20328008 0.86 CYP1A2 (0.34) CYP1A2CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL21652003 0.86 MMP9 (0.35) MMP9MMP13MMP1CYP2C9SIGMAR1
SCHEMBL18390106 0.83 CYP1A2 (0.37) CYP1A2CYP2C9SIGMAR1CYP2D6CYP2C19
SCHEMBL18713071 0.83 MMP8 (0.38) MMP9MMP13MMP1CYP2C9SIGMAR1
SCHEMBL18409206 0.82 FFAR3 (0.48) MMP9MMP1CYP1A2CYP2C9ALDH1A1
SCHEMBL20381997 0.81 CYP1A2 (0.36) CYP1A2CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL27454184 0.80 CETP (0.43) MMP9MMP1CYP1A2CYP2C9ALDH1A1
SCHEMBL19000021 0.80 FFAR3 (0.40) MMP9MMP1CYP1A2CYP2C9ALDH1A1
SCHEMBL20353514 0.79 RET (0.38) MMP9MMP13MMP1HRH3ALDH1A1
SCHEMBL27405371 0.78 CETP (0.46) ALDH1A1SMN1; SMN2FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 US disclosed
US-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-12-10 US disclosed
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-01-30 US disclosed
US-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-10-15 US disclosed
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-07-05 US disclosed
US-20180133207-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 (6 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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 MMP9 4196/4885MMP13 3136/4885MMP1 3562/4885
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 MMP9 4704/4885MMP13 4108/4885MMP1 4161/4885
US-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 MMP9 4196/4885MMP13 3136/4885MMP1 3562/4885
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF MMP9 4656/4885MMP13 4378/4885MMP1 4508/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 MMP9 4196/4885MMP13 3136/4885MMP1 3562/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 MMP9 4196/4885MMP13 3136/4885MMP1 3562/4885

“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.