Sugi Predict

Sugi Predict / Compounds / SCHEMBL13265388

SCHEMBL13265388

SCHEMBL13265388

CN(C)CC(=O)N1CC2CCC(C1)N2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ RET P07949 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ CHRNB3 Q05901 1/20 0.32

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
SCHEMBL7848049 0.84 TLR9 (0.34) ITGB3ITGA2BRETKDM4EJAK2
SCHEMBL21732996 0.83 ALDH1A1 (0.38) ITGB3ITGA2BRETKDM4EJAK2
SCHEMBL18712884 0.82 CHRNB2 (0.33) ITGB3ITGA2BRETKDM4EJAK2
SCHEMBL18712885 0.80 GAA (0.35) ITGB3ITGA2BRETKDM4ETLR9
SCHEMBL20349478 0.79 RET (0.33) ITGB3ITGA2BRETKDM4ETLR9
SCHEMBL18820470 0.79 LMNA (0.37) KDM4ELMNACYP2C9CYP3A4ALDH1A1
SCHEMBL20328225 0.78 GAA (0.31) RETTLR9TLR8TLR7CHRNB2
SCHEMBL25810241 0.76 ALDH1A1 (0.39) KDM4ELMNAALDH1A1NPC1CHRNB2
SCHEMBL18685371 0.76 CHRNB2 (0.39) KDM4ETLR9TLR8TLR7CHRNB2
SCHEMBL8374384 0.76 CHRNB2 (0.38) LMNACYP2C9CYP3A4ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 — — 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
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 — — US disclosed
US-7763613-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2010-07-27 — — 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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 ITGB3 3873/4885ITGA2B 4500/4885RET 1/4885
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ITGB3 3752/4885ITGA2B 4274/4885RET 1/4885
US-10174028-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF ITGB3 3752/4885ITGA2B 4274/4885RET 1/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ITGB3 3752/4885ITGA2B 4274/4885RET 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.