SCHEMBL20147983

SCHEMBL20147983

CC(C)CC(=O)NC1CCN(C(C)S)CC1O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.37
KDM5A P29375 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
PREP P48147 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CTSK P43235 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL20147509 0.89 RET (0.38) RETKDM5ASMN1; SMN2TP53PREP
SCHEMBL20158581 0.84 RET (0.36) RETKDM5ASMN1; SMN2TP53PREP
SCHEMBL25503417 0.83 RET (0.38) RETKDM5ASMN1; SMN2TP53PREP
SCHEMBL20069720 0.81 SMN1; SMN2 (0.39) RETKDM5ASMN1; SMN2TP53PREP
SCHEMBL20147928 0.79 CHRNB4 (0.35) RETCHRNB4CHRNA3CTSK
SCHEMBL20158525 0.78 SMN1; SMN2 (0.35) RETKDM5ASMN1; SMN2TP53
SCHEMBL20147927 0.75 KDM5A (0.37) RETKDM5ACHRNB4CHRNA3
SCHEMBL20147533 0.73 RET (0.37) RETKDM5ASMN1; SMN2TP53PREP
SCHEMBL20070146 0.73 SMN1; SMN2 (0.38) RETKDM5ASMN1; SMN2TP53
SCHEMBL19538672 0.72 PSEN1 (0.36) PREPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-10-15 US disclosed
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 (2 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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 RET 1/4885KDM5A 902/4885SMN1; SMN2 646/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885KDM5A 902/4885SMN1; SMN2 646/4885

“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.