SCHEMBL20965310

SCHEMBL20965310

COC1CC(NC(=O)C2CCN(SC)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
NAAA Q02083 1/20 0.37
EPHX2 P34913 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
RET P07949 1/20 0.35
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL18390139 0.83 GAA (0.40) GAANAAAEPHX2ALDH1A1MAPK1
SCHEMBL20353490 0.81 GAA (0.38) GAANAAAEPHX2ALDH1A1MAPK1
SCHEMBL20328130 0.79 SMN1; SMN2 (0.46) GAANAAAEPHX2ALDH1A1LMNA
SCHEMBL20349548 0.79 HRH3 (0.50) GAANAAAEPHX2ALDH1A1TSHR
SCHEMBL20382010 0.77 EPHX2 (0.40) GAANAAAEPHX2ALDH1A1MAPK1
SCHEMBL18390123 0.75 POLB (0.58) EPHX2ALDH1A1LMNARETTSHR
SCHEMBL21476231 0.69
SCHEMBL23054218 0.68 SMN1; SMN2 (0.58) GAAALDH1A1LMNATSHR
SCHEMBL26465575 0.66 MAPT (0.37) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL24109561 0.66 TP53 (0.47) GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 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 (1 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-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF GAA 2839/4885NAAA 4476/4885EPHX2 2061/4885

“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.