SCHEMBL20205887

SCHEMBL20205887

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.47
DPP4 P27487 1/20 0.42
ALDH1A1 P00352 2/20 0.38
ADRB2 P07550 2/20 0.38
HTT P42858 1/20 0.38
CYP2D6 P10635 1/20 0.37
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
TARS1 P26639 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL20068812 0.89 RET (0.48) RETDPP4ALDH1A1ADRB2HTT
SCHEMBL20147399 0.88 RET (0.47) RETDPP4ALDH1A1ADRB2HTT
SCHEMBL22856987 0.86 RET (0.46) RETDPP4ALDH1A1ADRB2HTT
SCHEMBL21651944 0.82 RET (0.44) RETDPP4ALDH1A1ADRB2HTT
SCHEMBL20205886 0.81 DPP4 (0.48) RETDPP4ALDH1A1ADRB2HTT
SCHEMBL20205889 0.81 RET (0.47) RETDPP4ALDH1A1ADRB2HTT
SCHEMBL20147390 0.80 RET (0.46) RETDPP4ALDH1A1ADRB2HTT
SCHEMBL22856990 0.78 RET (0.45) RETDPP4ALDH1A1ADRB2HTT
SCHEMBL21651969 0.76 HRH3 (0.42) RETDPP4ALDH1A1ADRB2HTT
SCHEMBL20147901 0.76 RET (0.44) RETDPP4ALDH1A1ADRB2HTT

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 RET 1/4885DPP4 1963/4885ALDH1A1 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.