SCHEMBL20154572

SCHEMBL20154572

COc1ccc(CN2C3CC2CN(C)C3)nc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.47
HRH3 Q9Y5N1 2/20 0.37
NAAA Q02083 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL20149630 0.85 RET (0.45) RETHRH3NAAAALDH1A1OPRM1
SCHEMBL20148629 0.85 RET (0.45) RETHRH3NAAA
SCHEMBL24135067 0.81 NAAA (0.39) RETHRH3NAAA
SCHEMBL22812017 0.80 RET (0.44) RET
SCHEMBL20154576 0.80 RET (0.42) RET
SCHEMBL20070524 0.80 RET (0.48) RETALDH1A1GAAKMT2A
SCHEMBL22812015 0.79 RET (0.41) RET
SCHEMBL22031280 0.75 RET (0.37) RET
SCHEMBL20070780 0.75 RET (0.46) RETALDH1A1
SCHEMBL18390924 0.74 KMT2A (0.44) RETHRH3ALDH1A1KMT2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180133213-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 (2 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-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF RET 1/4885HRH3 1148/4885NAAA 4631/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885HRH3 1148/4885NAAA 4631/4885

“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.