SCHEMBL20153226

SCHEMBL20153226

CCN1CC2CC1CN2c1ccc(OC)nc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.56
CHRNA4 P43681 7/20 0.56
RET P07949 4/20 0.45
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
MAP3K12 Q12852 1/20 0.40
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
BRAF P15056 1/20 0.36
NAAA Q02083 1/20 0.36
OXTR P30559 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL21695480 0.82 CHRNB2 (0.60) CHRNB2CHRNA4RETCHRNB4CHRNA3
SCHEMBL22650580 0.81 CHRNB2 (0.52) CHRNB2CHRNA4MAP3K12PARP1PARP2
SCHEMBL20070483 0.81 CHRNB2 (0.53) CHRNB2CHRNA4RETCHRNB4CHRNA3
SCHEMBL20160368 0.80 RET (0.47) CHRNB2CHRNA4RETNAAA
SCHEMBL16549647 0.79 GAA (0.43) MAP3K12BRAF
SCHEMBL20070477 0.79 CHRNB2 (0.56) CHRNB2CHRNA4RETCHRNB4CHRNA3
SCHEMBL20149643 0.79 CHRNB2 (0.56) CHRNB2CHRNA4RETCHRNB4CHRNA3
SCHEMBL5034147 0.78 CHRNB2 (0.58) CHRNB2CHRNA4RETCHRNB4CHRNA3
SCHEMBL20136777 0.78 CHRNB2 (0.58) CHRNB2CHRNA4RETCHRNB4CHRNA3
SCHEMBL23555019 0.76 CHRNB2 (0.49) CHRNB2CHRNA4RETCHRNB4CHRNA3

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 1977/4885RET 1/4885

“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.