SCHEMBL20205840

SCHEMBL20205840

CC1(NC(=O)C2CCN2C(=O)OC(C)(C)C)CCN(SS)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SCN4A P35499 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
SCN5A Q14524 1/20 0.32
SCN3A Q9NY46 1/20 0.32
USP30 Q70CQ3 1/20 0.32
HSD11B1 P28845 1/20 0.32
EPHX2 P34913 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
SCHEMBL20148024 0.85 RET (0.43) RETSMN1; SMN2NPC1LMNANPSR1
SCHEMBL20158638 0.83 RET (0.41) RETSMN1; SMN2NPC1LMNANPSR1
SCHEMBL20148011 0.82 RET (0.42) RETSMN1; SMN2NPC1LMNANPSR1
SCHEMBL22856992 0.77 RORC (0.34) RETKMT2AMEN1EPHX2
SCHEMBL14606172 0.72 SMN1; SMN2 (0.49) SMN1; SMN2NPC1LMNANPSR1ALDH1A1
SCHEMBL30513444 0.72 SMN1; SMN2 (0.49) SMN1; SMN2NPC1LMNANPSR1ALDH1A1
SCHEMBL20069206 0.71 HRH3 (0.37) RETSMN1; SMN2NPC1LMNANPSR1
SCHEMBL32691055 0.71 SMN1; SMN2 (0.48) SMN1; SMN2NPC1LMNANPSR1ALDH1A1
SCHEMBL8908114 0.71 SMN1; SMN2 (0.51) SMN1; SMN2NPC1LMNANPSR1ALDH1A1
SCHEMBL30419080 0.71 SMN1; SMN2 (0.48) SMN1; SMN2NPC1LMNANPSR1ALDH1A1

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 1/4885SMN1; SMN2 646/4885NPC1 4145/4885

“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.