Sugi Predict

Sugi Predict / Compounds / SCHEMBL20328008

SCHEMBL20328008

SCHEMBL20328008

CC(C)NC(=O)C1(C)CCN(C(C)S)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MME P08473 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RET P07949 2/20 0.31
▸ FFAR3 O14843 1/20 0.30
▸ CHRM5 P08912 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL20148015 0.86 MMP9 (0.36) CYP1A2CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL20381997 0.82 CYP1A2 (0.36) CYP1A2CYP2C9CYP2D6CYP2C19CETP
SCHEMBL20381981 0.81 RET (0.37) ALDH1A1RETMEN1KMT2AL3MBTL1
SCHEMBL18390106 0.80 CYP1A2 (0.37) CYP1A2CYP2C9CYP2D6CYP2C19CETP
SCHEMBL18409206 0.79 FFAR3 (0.48) CYP1A2CYP2C9CETPALDH1A1MME
SCHEMBL27454184 0.77 CETP (0.43) CYP1A2CYP2C9CETPALDH1A1MME
SCHEMBL19000021 0.77 FFAR3 (0.40) CYP1A2CYP2C9CETPALDH1A1MME
SCHEMBL25504651 0.76 DRD2 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL21652039 0.76 CYP1A2 (0.35) CYP1A2CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL22857029 0.75 JAK2 (0.39) SMN1; SMN2RET

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-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-11-09 — — US disclosed
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 — — US disclosed
US-10174028-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 — — US disclosed
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-06-28 — — 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 (4 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-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 CYP1A2 3675/4885CYP2C9 4078/4885CYP2D6 3470/4885
US-10174028-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF CYP1A2 3702/4885CYP2C9 3533/4885CYP2D6 3133/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP1A2 3702/4885CYP2C9 3533/4885CYP2D6 3133/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 CYP1A2 3559/4885CYP2C9 4089/4885CYP2D6 3420/4885

“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.