SCHEMBL20205886

SCHEMBL20205886

CC(O)CC(=O)NC1(Cc2ccccc2)CCN(S)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
ADRB2 P07550 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
RET P07949 3/20 0.46
CTSL P07711 2/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL20069601 0.89 DPP4 (0.49) DPP4ADRB2ALDH1A1HTTRET
SCHEMBL20147384 0.88 DPP4 (0.48) DPP4ADRB2ALDH1A1HTTRET
SCHEMBL20158744 0.86 DPP4 (0.47) DPP4ADRB2ALDH1A1HTTRET
SCHEMBL20148001 0.81 ADRB2 (0.47) DPP4ADRB2ALDH1A1HTTRET
SCHEMBL20205887 0.81 RET (0.47) DPP4ADRB2ALDH1A1HTTRET
SCHEMBL20147901 0.80 RET (0.44) DPP4ADRB2ALDH1A1HTTRET
SCHEMBL21651944 0.79 RET (0.44) DPP4ADRB2ALDH1A1HTTRET
SCHEMBL25499853 0.78 DPP4 (0.48) DPP4ADRB2ALDH1A1HTTRET
SCHEMBL25502319 0.77 DPP4 (0.50) DPP4ADRB2ALDH1A1HTTRET
SCHEMBL20147407 0.75 DPP4 (0.46) DPP4ADRB2ALDH1A1HTTRET

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 DPP4 1963/4885ADRB2 3956/4885ALDH1A1 2547/4885

“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.