SCHEMBL20153227

SCHEMBL20153227

CCC(C)N1CC2CC(C1)N2c1ccc(OC)nc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.45
CHRNA4 P43681 5/20 0.45
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
RET P07949 3/20 0.39
OGA O60502 1/20 0.38
OXTR P30559 4/20 0.34
AVPR2 P30518 3/20 0.34
AVPR1A P37288 2/20 0.34
NAAA Q02083 1/20 0.34
CRHR1 P34998 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AVPR1B P47901 1/20 0.33

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
SCHEMBL20070478 0.87 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3RET
SCHEMBL23555019 0.82 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3RET
SCHEMBL20153225 0.80 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3RET
SCHEMBL20070483 0.79 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3RET
SCHEMBL23126264 0.78 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3RET
SCHEMBL23126233 0.76 OGA (0.57) CHRNB2CHRNA4CHRNB4CHRNA3RET
SCHEMBL22811911 0.76 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3RET
SCHEMBL20149644 0.76 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3RET
SCHEMBL22812234 0.76 RET (0.46) CHRNB2CHRNA4RETOGANAAA
SCHEMBL22030762 0.75 RET (0.47) RETMEN1KMT2A

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-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 (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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CHRNB2 2276/4885CHRNA4 1977/4885CHRNB4 1708/4885

“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.