SCHEMBL21159015

SCHEMBL21159015

CCN1CCC2(CC1)CN2S(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP2D6 P10635 7/20 0.46
CYP3A4 P08684 5/20 0.46
USP2 O75604 4/20 0.46
CYP1A2 P05177 4/20 0.46
HRH3 Q9Y5N1 6/20 0.45
DRD3 P35462 8/20 0.45
HTR6 P50406 7/20 0.45
TSHR P16473 4/20 0.45
DRD2 P14416 3/20 0.45
CYP2C19 P33261 1/20 0.44

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
SCHEMBL20626519 0.87 KDM2B (0.51) HTR6
SCHEMBL21159016 0.83 MMP1 (0.54) CYP2D6HTR6TSHR
SCHEMBL22812232 0.83 TSHR (0.60) MAPTNPSR1CYP2D6CYP3A4USP2
SCHEMBL20148744 0.79 CYP2D6 (0.47) MAPTNPSR1CYP2D6CYP3A4USP2
SCHEMBL20626520 0.77 MAPT (0.43) MAPTNPSR1CYP2D6CYP3A4USP2
SCHEMBL22031245 0.76 RET (0.49) CYP2D6TSHR
SCHEMBL685172 0.74 POLB (0.67) MAPTCYP2D6HRH3DRD3HTR6
SCHEMBL21540450 0.71 MAPT (0.53) MAPTNPSR1CYP2D6CYP3A4USP2
SCHEMBL1000444 0.70 MAPT (0.64) MAPTNPSR1CYP2D6CYP3A4USP2
SCHEMBL20154516 0.70 KMT2A (0.50) TSHRCYP2C19

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-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ELI LILLY AND COMPANY (US) 2020-02-11 US disclosed
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-06-20 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-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF MAPT 1769/4885NPSR1 2516/4885CYP2D6 3706/4885
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF MAPT 1769/4885NPSR1 2516/4885CYP2D6 3706/4885

“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.