SCHEMBL20154561

SCHEMBL20154561

COc1ccc(N2CCCC3(CCN(C)C3)C2)cn1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.54
CHRNA4 P43681 3/20 0.54
RET P07949 1/20 0.46
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP3A4 P08684 14/20 0.43
CYP2C19 P33261 3/20 0.43
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CYP2D6 P10635 5/20 0.41
CYP1A2 P05177 5/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 3/20 0.40
HIF1A Q16665 2/20 0.40
CYP2C9 P11712 4/20 0.40
HSD17B10 Q99714 3/20 0.39
USP2 O75604 2/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL20070653 0.86 CHRNB2 (0.53) CHRNB2CHRNA4RETKCNJ1KCNH2
SCHEMBL20148753 0.84 CHRNB2 (0.51) CHRNB2CHRNA4RETKCNJ1KCNH2
SCHEMBL5572058 0.81 CHRNB2 (0.47) CHRNB2CHRNA4RETKCNJ1KCNH2
SCHEMBL5389142 0.75 CHRNB2 (0.57) CHRNB2CHRNA4KCNJ1KCNH2CYP3A4
SCHEMBL5312452 0.75 CHRNB2 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL14996490 0.74 CYP2C9 (0.63) CYP3A4CYP2C19CYP2D6CYP1A2TSHR
SCHEMBL6884588 0.73 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL17411195 0.73 CYP2D6 (0.48) CYP3A4CYP2C19CYP2D6CYP1A2TSHR
SCHEMBL31637440 0.72 CHRNB2 (0.53) CHRNB2CHRNA4RETKCNJ1KCNH2
SCHEMBL2484017 0.72 CYP3A4 (0.45) CYP3A4CYP2C19CYP2D6CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2024-02-29 US disclosed
US-20210186959-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2021-06-24 US disclosed
US-10953005-B1 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-03-23 US disclosed
US-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ELI LILLY AND COMPANY (US) 2020-02-11 US disclosed
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-06-20 US disclosed
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
US-20180134702-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 (8 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-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CHRNB2 2276/4885CHRNA4 1977/4885RET 1/4885
US-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF CHRNB2 2276/4885CHRNA4 1977/4885RET 1/4885
US-10953005-B1 Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF CHRNB2 2276/4885CHRNA4 1977/4885RET 1/4885
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CHRNB2 2276/4885CHRNA4 1977/4885RET 1/4885
US-20210186959-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CHRNB2 2276/4885CHRNA4 1977/4885RET 1/4885
US-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF CHRNB2 2276/4885CHRNA4 1977/4885RET 1/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CHRNB2 2276/4885CHRNA4 1977/4885RET 1/4885
US-20240066029-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.