SCHEMBL20154581

SCHEMBL20154581

CC(C)CC(=O)N1CCN(C(C)S)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ATM Q13315 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MDM2 Q00987 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL674328 0.85
SCHEMBL18199496 0.85 POLB (0.70) POLBL3MBTL1NPSR1ATMALDH1A1
SCHEMBL22434895 0.85 POLB (0.70) POLBL3MBTL1NPSR1ATMALDH1A1
SCHEMBL10121272 0.84 POLB (0.59) POLBL3MBTL1NPSR1ATMALDH1A1
SCHEMBL18713009 0.78 HRH3 (0.37) POLBL3MBTL1NPSR1ALDH1A1
SCHEMBL18712983 0.78 ALDH1A1 (0.48) POLBL3MBTL1ALDH1A1KMT2AGAA
SCHEMBL24372881 0.78 POLB (0.67) POLBL3MBTL1NPSR1ATMALDH1A1
SCHEMBL12197938 0.78 POLB (0.61) POLBL3MBTL1NPSR1ATMALDH1A1
SCHEMBL2625513 0.78 POLB (0.61) POLBL3MBTL1NPSR1ATMALDH1A1
SCHEMBL4147639 0.78 POLB (0.61) POLBL3MBTL1NPSR1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2024-02-29 US disclosed
US-10953005-B1 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-03-23 US disclosed
US-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180133213-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 (4 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-10953005-B1 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF POLB 3678/4885L3MBTL1 1445/4885NPSR1 2516/4885
US-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF POLB 3678/4885L3MBTL1 1445/4885NPSR1 2516/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF POLB 3678/4885L3MBTL1 1445/4885NPSR1 2516/4885
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF POLB 3678/4885L3MBTL1 1445/4885NPSR1 2516/4885

“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.