SCHEMBL20158638

SCHEMBL20158638

CC(S)N1CCC(C)(NC(=O)C2CCN2C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.41
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
SCN4A P35499 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN3A Q9NY46 1/20 0.32

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
SCHEMBL20148011 0.91 RET (0.42) RETNPC1SMN1; SMN2LMNANPSR1
SCHEMBL20148024 0.84 RET (0.43) RETNPC1SMN1; SMN2LMNANPSR1
SCHEMBL20205840 0.83 RET (0.41) RETNPC1SMN1; SMN2LMNANPSR1
SCHEMBL20069206 0.80 HRH3 (0.37) RETNPC1SMN1; SMN2LMNANPSR1
SCHEMBL20206055 0.78 CTSL (0.34) RETKMT2AMEN1
SCHEMBL30513444 0.72 SMN1; SMN2 (0.49) NPC1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL14606172 0.72 SMN1; SMN2 (0.49) NPC1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL32691055 0.70 SMN1; SMN2 (0.48) NPC1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL8908114 0.70 SMN1; SMN2 (0.51) NPC1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL30419080 0.70 SMN1; SMN2 (0.48) NPC1SMN1; SMN2LMNANPSR1KMT2A

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 1/4885NPC1 4145/4885SMN1; SMN2 646/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885NPC1 4145/4885SMN1; 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.