SCHEMBL20158490

SCHEMBL20158490

CCC(=O)NC1(CN2CCOCC2)CCN(S)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.41
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL20070364 0.87 RET (0.41) RETKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL22857087 0.87 RET (0.41) RETKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL25503509 0.84 RET (0.43) RETKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL20147519 0.84 RET (0.40) RETKDM4ESMN1; SMN2
SCHEMBL20070365 0.77 RET (0.43) RETSMN1; SMN2MEN1KMT2A
SCHEMBL20147896 0.74 RET (0.45) RETKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL20147522 0.74 RET (0.41) RETSMN1; SMN2MEN1KMT2A
SCHEMBL20069520 0.73 RET (0.43) RETKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL20069522 0.73 RET (0.43) RETSMN1; SMN2MEN1KMT2A
SCHEMBL20070368 0.72 RET (0.44) RETKDM4ESMN1; SMN2MEN1KMT2A

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-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180134703-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-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 RET 1/4885KDM4E 547/4885SMN1; SMN2 646/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885KDM4E 547/4885SMN1; 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.