SCHEMBL18712969

SCHEMBL18712969

CCc1nn(CC)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ADORA2A P29274 3/20 0.36
ADORA2B P29275 2/20 0.36
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL18712974 0.79 ADORA2A (0.32) GAAADORA2AADORA2BSMN1; SMN2LMNA
SCHEMBL12152092 0.79 ADORA2A (0.32) ADORA2AADORA2B
SCHEMBL6104900 0.77 ADORA2A (0.31) GAAADORA2AADORA2BSMN1; SMN2LMNA
SCHEMBL20349532 0.77 ADORA2A (0.31) GAAADORA2AADORA2BSMN1; SMN2LMNA
SCHEMBL23403654 0.77 ALOX15 (0.36) GAAADORA2AADORA2BSMN1; SMN2LMNA
SCHEMBL23399085 0.77 GAA (0.39) GAAADORA2AADORA2BALOX15
SCHEMBL8649530 0.75 ALDH1A1 (0.54) GAAADORA2AADORA2BALDH1A1SMN1; SMN2
SCHEMBL18704882 0.74
SCHEMBL13233140 0.73 GAA (0.59) GAASMN1; SMN2LMNAHTT
SCHEMBL19504917 0.71 ADORA2A (0.38) GAAADORA2AADORA2BALDH1A1SMN1; SMN2

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-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 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-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF GAA 2839/4885ADORA2A 2629/4885ADORA2B 1920/4885

“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.