SCHEMBL20069814

SCHEMBL20069814

CC(C)N1CCC(NC(=O)C2CC(F)(F)C2)C(O)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
CYP2D6 P10635 1/20 0.36
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
HSD11B1 P28845 2/20 0.34
KDM5A P29375 1/20 0.34
CCR5 P51681 3/20 0.32
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL20147702 0.92 HRH3 (0.34) RETHRH3CYP2D6HSD11B1KDM5A
SCHEMBL25505070 0.87 RET (0.40) RETHSD11B1KDM5ACCR5KCNH2
SCHEMBL20148065 0.83 RET (0.38) RETKDM5A
SCHEMBL20158500 0.80 RET (0.40) RETHSD11B1KDM5AALDH1A1
SCHEMBL25505073 0.77 RET (0.35) RET
SCHEMBL20147505 0.77 CHRNB4 (0.37) RETHRH3CYP2D6HSD11B1ALDH1A1
SCHEMBL20147504 0.75 KDM5A (0.41) RETHRH3HSD11B1KDM5AALDH1A1
SCHEMBL20349550 0.74 HRH3 (0.54) HRH3CYP2D6GSK3BDYRK1AALDH1A1
SCHEMBL20147509 0.73 RET (0.38) RETHRH3KDM5AALDH1A1
SCHEMBL20147502 0.73 HSD11B1 (0.39) RETHRH3HSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-12-10 US disclosed
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-01-30 US disclosed
US-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-10-15 US disclosed
US-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 US disclosed
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
WO-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO 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 (5 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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885HRH3 1000/4885CYP2D6 3759/4885
US-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885HRH3 1000/4885CYP2D6 3759/4885
US-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 RET 1/4885HRH3 1000/4885CYP2D6 3759/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885HRH3 1000/4885CYP2D6 3759/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885HRH3 1000/4885CYP2D6 3759/4885

“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.