SCHEMBL20154465

SCHEMBL20154465

O=C(C(O)c1ccc(Cl)cc1)N1CCN(S)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.50
CYP3A4 P08684 1/20 0.50
GPX4 P36969 5/20 0.43
PANK3 Q9H999 1/20 0.41
CACNA2D1 P54289 5/20 0.39
CACNB1 Q02641 5/20 0.39
CACNA1B Q00975 4/20 0.39
CACNA1C Q13936 3/20 0.39
CACNA1G O43497 1/20 0.39
CHRNA7 P36544 1/20 0.38
POLB P06746 1/20 0.38
MGLL Q99685 2/20 0.38
CACNA1A O00555 1/20 0.38
ABHD6 Q9BV23 1/20 0.38

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
SCHEMBL21159094 0.84 POLB (0.57) ROCK2CYP3A4GPX4PANK3POLB
SCHEMBL20070968 0.81 CHRNA7 (0.56) ROCK2CYP3A4GPX4PANK3CHRNA7
SCHEMBL22811884 0.80 ALDH1A1 (0.54) ROCK2CYP3A4GPX4POLB
SCHEMBL4874249 0.74 ALDH1A1 (0.53) ROCK2CYP3A4CACNA2D1CACNB1CACNA1B
SCHEMBL366363 0.70 DPP7 (0.48) ROCK2CYP3A4
SCHEMBL370424 0.70 DPP7 (0.48) ROCK2CYP3A4
SCHEMBL12091644 0.70 DPP7 (0.48) ROCK2CYP3A4
SCHEMBL20970814 0.70 CES2 (0.47)
SCHEMBL10215536 0.69 HIF1A (0.53) PANK3POLB
SCHEMBL18390257 0.69 MEN1 (0.50) PANK3

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-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 (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-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF ROCK2 581/4885CYP3A4 3158/4885GPX4 3938/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ROCK2 581/4885CYP3A4 3158/4885GPX4 3938/4885

“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.