SCHEMBL20153205

SCHEMBL20153205

CC(S)N1CCN(C(=O)C(O)c2cccc(Cl)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.51
CYP3A4 P08684 2/20 0.51
CACNA2D1 P54289 3/20 0.46
CACNA1B Q00975 3/20 0.46
CACNB1 Q02641 3/20 0.46
CACNA1C Q13936 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CACNA1G O43497 1/20 0.46
RET P07949 1/20 0.43
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40

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
SCHEMBL18704995 0.90 ROCK2 (0.53) ROCK2CYP3A4CACNA2D1CACNA1BCACNB1
SCHEMBL21158863 0.86 ROCK2 (0.53) ROCK2CYP3A4CACNA2D1CACNA1BCACNB1
SCHEMBL18390255 0.84 ROCK2 (0.55) ROCK2CYP3A4LMNATSHRMAPK1
SCHEMBL20353685 0.84 CHRM1 (0.51) ROCK2CYP3A4TSHRNPSR1MEN1
SCHEMBL20160594 0.81 ROCK2 (0.54) ROCK2CYP3A4CACNA2D1CACNA1BCACNB1
SCHEMBL22812215 0.81 ROCK2 (0.52) ROCK2CYP3A4CACNA2D1CACNA1BCACNB1
SCHEMBL20070510 0.79 CYP3A4 (0.55) ROCK2CYP3A4CACNA2D1CACNA1BCACNB1
SCHEMBL20148581 0.75 ROCK2 (0.54) ROCK2CYP3A4CACNA2D1CACNA1BCACNB1
SCHEMBL20148583 0.75 CHRM1 (0.51) KMT2ACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL20349547 0.75 CES2 (0.43) LMNARETKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20180133200-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 (3 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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ROCK2 581/4885CYP3A4 3158/4885CACNA2D1 2786/4885
US-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF ROCK2 581/4885CYP3A4 3158/4885CACNA2D1 2786/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ROCK2 581/4885CYP3A4 3158/4885CACNA2D1 2786/4885

“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.