SCHEMBL20147896

SCHEMBL20147896

CCN1CCC(CN2CCOCC2)(NC(=O)CC(C)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.45
ALDH1A1 P00352 3/20 0.35
ABCB1 P08183 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
CASP6 P55212 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CTSS P25774 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
SCHEMBL20070368 0.89 RET (0.44) RETALDH1A1ABCB1SMN1; SMN2MEN1
SCHEMBL20147524 0.88 RET (0.43) RETALDH1A1SMN1; SMN2CTSS
SCHEMBL22857087 0.85 RET (0.41) RETSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL20069522 0.80 RET (0.43) RETALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20147488 0.79 RET (0.42) RETALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20147519 0.77 RET (0.40) RETALDH1A1SMN1; SMN2KDM4E
SCHEMBL20069716 0.75 RET (0.43) RETALDH1A1SMN1; SMN2KDM4E
SCHEMBL20147522 0.75 RET (0.41) RETALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20070364 0.75 RET (0.41) RETALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20070362 0.75 RET (0.46) RETALDH1A1SMN1; 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-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 1/4885ALDH1A1 2547/4885ABCB1 3127/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885ALDH1A1 2547/4885ABCB1 3127/4885

“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.