SCHEMBL20148018

SCHEMBL20148018

CC(C)N1CCC(C)(C(=O)NCC(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
TRPA1 O75762 1/20 0.38
RET P07949 1/20 0.35
MMP8 P22894 2/20 0.34
MMP14 P50281 2/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP1 P03956 1/20 0.32
DPP4 P27487 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MLYCD O95822 1/20 0.30
CHRM4 P08173 2/20 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
SCHEMBL22857029 0.88 JAK2 (0.39) JAK2JAK1JAK3TRPA1RET
SCHEMBL20353623 0.85 TRPA1 (0.37) JAK2JAK1JAK3TRPA1RET
SCHEMBL20069764 0.83 JAK2 (0.42) JAK2JAK1JAK3TRPA1RET
SCHEMBL12110130 0.82 JAK2 (0.39) JAK2JAK1JAK3TRPA1RET
SCHEMBL25504417 0.80 CYP2C19 (0.38) TRPA1RETMMP8MMP14MMP9
SCHEMBL17071899 0.79 DPP4 (0.38) JAK2JAK1JAK3TRPA1RET
SCHEMBL18713071 0.78 MMP8 (0.38) TRPA1RETMMP8MMP14MMP9
SCHEMBL20147940 0.78 TRPA1 (0.37) TRPA1RETMMP8MMP14MMP9
SCHEMBL20158498 0.76 SMN1; SMN2 (0.43) RETMMP9MMP13MMP1SMN1; SMN2
SCHEMBL20328006 0.74 TRPA1 (0.36) TRPA1RETCHRM4

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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-10-15 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 (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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 JAK2 43/4885JAK1 9/4885JAK3 14/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 JAK2 43/4885JAK1 9/4885JAK3 14/4885

“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.