SCHEMBL21652003

SCHEMBL21652003

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.35
MMP13 P45452 3/20 0.35
MMP1 P03956 1/20 0.35
RET P07949 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2D6 P10635 1/20 0.32
MMP8 P22894 3/20 0.32
MMP14 P50281 3/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
TACR2 P21452 1/20 0.31
TACR3 P29371 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20148015 0.86 MMP9 (0.36) MMP9MMP13MMP1RETSIGMAR1
SCHEMBL20069789 0.84 RET (0.34) RETCYP3A4CYP2C9CYP2C19
SCHEMBL24571826 0.83 FFAR3 (0.39) RETCYP3A4CYP2C9CYP2C19
SCHEMBL24568143 0.83 FFAR3 (0.39) RETCYP3A4CYP2C9CYP2C19
SCHEMBL18713071 0.80 MMP8 (0.38) MMP9MMP13MMP1RETSIGMAR1
SCHEMBL25504419 0.80 RET (0.36) MMP9MMP13MMP1RETCYP2D6
SCHEMBL20353514 0.76 RET (0.38) MMP9MMP13MMP1RETHRH3
SCHEMBL28296432 0.75 CYP2D6 (0.38) MMP9MMP13MMP1CYP2D6MMP8
SCHEMBL24568137 0.75 ALDH1A1 (0.40) RETCYP3A4CYP2C9CYP2C19
SCHEMBL25504417 0.75 CYP2C19 (0.38) MMP9MMP13MMP1RETCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-01-05 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 MMP9 4196/4885MMP13 3136/4885MMP1 3562/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 MMP9 4196/4885MMP13 3136/4885MMP1 3562/4885

“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.