SCHEMBL20201374

SCHEMBL20201374

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
CYP2D6 P10635 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL20206054 0.87
SCHEMBL18705063 0.86 MMP9 (0.33) MMP1MMP9MMP13CYP2D6HRH3
SCHEMBL20147468 0.85 RET (0.34) MMP1MMP9MMP13CYP2D6HRH3
SCHEMBL16304087 0.84 DRD2 (0.37) MMP1MMP9MMP13CYP2D6HRH3
SCHEMBL20147362 0.83 DPP4 (0.35) MMP1MMP9MMP13CYP2D6
SCHEMBL20069560 0.83 CYP2D6 (0.35) MMP1MMP9MMP13CYP2D6HRH3
SCHEMBL20148046 0.81 RET (0.34) MMP1MMP9MMP13CYP2D6HRH3
SCHEMBL20147324 0.80 MMP9 (0.36) MMP1MMP9MMP13CYP2D6
SCHEMBL20147381 0.79 PARP1 (0.33) MMP1MMP9MMP13CYP2D6
SCHEMBL10210460 0.78

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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 MMP1 3562/4885MMP9 4196/4885MMP13 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.