SCHEMBL20147362

SCHEMBL20147362

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CYP2D6 P10635 1/20 0.33
SLC7A5 Q01650 1/20 0.31
PARP1 P09874 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 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
SCHEMBL20147381 0.89 PARP1 (0.33) DPP4DPP7CYP2D6PARP1MMP1
SCHEMBL20069560 0.87 CYP2D6 (0.35) DPP4CYP2D6PARP1MMP1MMP9
SCHEMBL20201374 0.83 MMP1 (0.32) CYP2D6MMP1MMP9MMP13
SCHEMBL18705063 0.83 MMP9 (0.33) CYP2D6PARP1MMP1MMP9MMP13
SCHEMBL20147468 0.82 RET (0.34) CYP2D6MMP1MMP9MMP13
SCHEMBL20069778 0.81 RET (0.36) DPP4FAPDPP8DPP9DPP7
SCHEMBL20148046 0.79 RET (0.34) CYP2D6MMP1MMP9MMP13
SCHEMBL16304087 0.78 DRD2 (0.37) CYP2D6PARP1MMP1MMP9MMP13
SCHEMBL20147324 0.77 MMP9 (0.36) CYP2D6MMP1MMP9MMP13KDM4E
SCHEMBL20070401 0.75 CYP2D6 (0.34) CYP2D6PARP1MMP1MMP9MMP13

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 DPP4 1963/4885FAP 2083/4885DPP8 2089/4885

“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.