Sugi Predict

Sugi Predict / Compounds / SCHEMBL20069677

SCHEMBL20069677

SCHEMBL20069677

CC(C)CNC(=O)C1(C)CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2D6 P10635 1/20 0.39
▸ RET P07949 3/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ EPHX1 P07099 1/20 0.33
▸ PSEN1 P49768 2/20 0.33
▸ PSEN2 P49810 2/20 0.33
▸ APH1B Q8WW43 2/20 0.33

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
SCHEMBL20069769 0.88 RET (0.36) CYP2C19RETMMP1DRD2DRD4
SCHEMBL25504417 0.85 CYP2C19 (0.38) CYP2C19CYP2D6RETMMP1MMP8
SCHEMBL21651968 0.83 KDM4E (0.49) CYP2C19CYP2D6RETMMP1MMP8
SCHEMBL22172283 0.80 KMT2A (0.41) KDM4EDRD2DRD4
SCHEMBL20069765 0.80 CYP2C19 (0.44) CYP2C19CYP2D6RETMMP1MMP8
SCHEMBL20068864 0.77 CYP2C19 (0.44) CYP2C19CYP2D6RETMMP1MMP8
SCHEMBL18390106 0.77 CYP1A2 (0.37) CYP2C19CYP2D6RETKDM4ESMN1; SMN2
SCHEMBL20069781 0.76 CYP2C19 (0.41) CYP2C19CYP2D6RETMMP1MMP8
SCHEMBL20069485 0.76 CYP2C19 (0.44) CYP2C19CYP2D6RETKDM4ETP53
SCHEMBL23866613 0.76 CYP2C19 (0.40) CYP2C19CYP2D6MMP1MMP8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-01-05 — — US disclosed
US-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 — — US disclosed
US-20180134703-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 (3 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-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 CYP2C19 4137/4885CYP2D6 3759/4885RET 1/4885
US-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 CYP2C19 4137/4885CYP2D6 3759/4885RET 1/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CYP2C19 4137/4885CYP2D6 3759/4885RET 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.