SCHEMBL21158883

SCHEMBL21158883

Clc1cnc(N2CC3CC(C2)N3)nc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.54
CHRNA3 P32297 6/20 0.54
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
ROCK2 O75116 1/20 0.42

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
Hydrochloric Acid SCHEMBL25309664 0.89 CHRNB2 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4ROCK2
SCHEMBL23744047 0.79 PTPN11 (0.51) CHRNB4CHRNA3
SCHEMBL24467741 0.79 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4ROCK2
SCHEMBL23744751 0.79 PTPN11 (0.51) CHRNB4CHRNA3
SCHEMBL29432181 0.77 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4ROCK2
SCHEMBL23744744 0.77 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4ROCK2
Hydrochloric Acid SCHEMBL26126547 0.75 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4ROCK2
Hydrochloric Acid SCHEMBL25308897 0.75 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4ROCK2
SCHEMBL20469047 0.72 CHRNB2 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4ROCK2
SCHEMBL25147416 0.72 MTOR (0.40)

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-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-06-20 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-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CHRNB4 1708/4885CHRNA3 1700/4885CHRNB2 2276/4885

“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.