Sugi Predict

Sugi Predict / Compounds / SCHEMBL5377546

SCHEMBL5377546

SCHEMBL5377546

CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)C(c2ccc(N)nc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ SMARCA2 P51531 1/20 0.43
▸ SMARCA4 P51532 1/20 0.43
▸ PBRM1 Q86U86 1/20 0.43
▸ GPR119 Q8TDV5 8/20 0.41
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ ALOX5AP P20292 2/20 0.40
▸ FEN1 P39748 2/20 0.40
▸ GCKR Q14397 1/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL30512308 0.86 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1GPR119ALOX5AP
SCHEMBL14924376 0.86 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1GPR119ALOX5AP
SCHEMBL14912467 0.86 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1GPR119ALOX5AP
SCHEMBL14912289 0.86 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1GPR119ALOX5AP
SCHEMBL30176849 0.86 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1GPR119ALOX5AP
SCHEMBL26117491 0.85 GPR119 (0.43) SMARCA2SMARCA4PBRM1GPR119ALOX5AP
SCHEMBL26117499 0.85 GPR119 (0.43) SMARCA2SMARCA4PBRM1GPR119ALOX5AP
SCHEMBL30578917 0.83 ALOX5AP (0.44) SMARCA2SMARCA4PBRM1GPR119ALOX5AP
SCHEMBL30578907 0.83 SMARCA2 (0.43) SMARCA2SMARCA4PBRM1GPR119ALOX5AP
SCHEMBL610356 0.79 PDE4B (0.53) GPR119DDB1CRBNALOX5APFEN1

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
CN-113956238-B Protein kinase inhibitor and preparation method and medical application thereof 甘李药业股份有限公司 2023-07-14 — — CN disclosed
US-7208489-B2 Inhibitors of cyclin-dependent kinases 4 (cdk4); treating proliferative disorders such as cancer; salt of 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one for example WARNER-LAMBERT COMPANY (US) 2007-04-24 — — US disclosed
US-6936612-B2 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones WARNER-LAMBERT COMPANY (US) 2005-08-30 — — US disclosed
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones WARNER-LAMBERT COMPANY 2005-06-23 — — US disclosed
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones BARVIAN MARK (US) 2003-08-07 — — 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 (2 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-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones CDK4, CDK2, CDK1 HDAC6 1197/4885HDAC8 581/4885SMARCA2 1442/4885
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones CDK4, CDK2, CDK3 HDAC6 1271/4885HDAC8 628/4885SMARCA2 1366/4885

“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.