SCHEMBL20158640

SCHEMBL20158640

CC(S)N1CC(OCc2ccccn2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LPL P06858 1/20 0.39
LIPC P11150 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
SYK P43405 3/20 0.38
ALDH1A1 P00352 3/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL20068997 0.89 DRD4 (0.43) DRD4SIGMAR1LPLLIPCLIPG
SCHEMBL20148064 0.86 DRD4 (0.50) DRD4SIGMAR1LPLLIPCLIPG
SCHEMBL20068996 0.78 DRD4 (0.52) DRD4SIGMAR1LPLLIPCLIPG
SCHEMBL21652035 0.76 DRD4 (0.50) DRD4SIGMAR1LPLLIPCLIPG
SCHEMBL21652036 0.75 DRD4 (0.44) DRD4SIGMAR1LPLLIPCLIPG
SCHEMBL7016474 0.74 CTSL (0.61)
SCHEMBL25839819 0.74 DRD4 (0.39) DRD4SIGMAR1LPLLIPCLIPG
SCHEMBL20068999 0.72 SIGMAR1 (0.55) DRD4SIGMAR1LPLLIPCLIPG
SCHEMBL15477305 0.72 DRD4 (0.51) DRD4SIGMAR1LPLLIPCLIPG
SCHEMBL28660573 0.71 SLC6A4 (0.56) DRD4SIGMAR1LPLLIPCLIPG

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 DRD4 2952/4885SIGMAR1 3807/4885LPL 4797/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 DRD4 2952/4885SIGMAR1 3807/4885LPL 4797/4885

“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.