SCHEMBL20147324

SCHEMBL20147324

COC(C)C(=O)NC1(C)CCN(C(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.36
MMP1 P03956 2/20 0.36
MMP13 P45452 2/20 0.36
MAPT P10636 1/20 0.32
MMP2 P08253 2/20 0.31
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 1/20 0.30
CYP2D6 P10635 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL18705063 0.83 MMP9 (0.33) MMP9MMP1MMP13MMP2MMP3
SCHEMBL20069560 0.80 CYP2D6 (0.35) MMP9MMP1MMP13MAPTCYP2D6
SCHEMBL20201374 0.80 MMP1 (0.32) MMP9MMP1MMP13CYP2D6
SCHEMBL20147468 0.79 RET (0.34) MMP9MMP1MMP13CYP2D6
SCHEMBL20148046 0.79 RET (0.34) MMP9MMP1MMP13CYP2D6
SCHEMBL16304087 0.78 DRD2 (0.37) MMP9MMP1MMP13MMP2MMP3
SCHEMBL20147362 0.77 DPP4 (0.35) MMP9MMP1MMP13MAPTCYP2D6
SCHEMBL20147381 0.76 PARP1 (0.33) MMP9MMP1MMP13CYP2D6
SCHEMBL20147470 0.75 RET (0.39) MMP9MMP1MMP13MMP2MMP3
SCHEMBL20069778 0.75 RET (0.36) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 MMP9 4196/4885MMP1 3562/4885MMP13 3136/4885

“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.