Sugi Predict

Sugi Predict / Compounds / SCHEMBL3445314

SCHEMBL3445314

SCHEMBL3445314

CC(C)C(CO)Nc1nc(N[C@@H](CO)c2ccccc2)c2nn[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 10/20 0.42
▸ CDK1 P06493 9/20 0.42
▸ CCNA2 P20248 8/20 0.39
▸ CDK2 P24941 8/20 0.39
▸ CCNA1 P78396 8/20 0.39
▸ DYRK1A Q13627 8/20 0.39
▸ CDK5R1 Q15078 8/20 0.39
▸ CCNB2 O95067 2/20 0.38
▸ CCNB1 P14635 2/20 0.38
▸ CCNB3 Q8WWL7 2/20 0.38
▸ NTRK1 P04629 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ EGFR P00533 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3445574 1.00 CDK5 (0.42) CDK5CDK1CCNA2CDK2CCNA1
SCHEMBL3444174 0.84 CDK5 (0.48) CDK5CDK1CCNA2CDK2CCNA1
SCHEMBL3445318 0.84 CDK5 (0.39) CDK5CDK1CCNA2CDK2CCNA1
SCHEMBL3445577 0.84 CDK5 (0.39) CDK5CDK1CCNA2CDK2CCNA1
SCHEMBL3444249 0.83 CDK2 (0.52) CDK5CDK1CDK2DYRK1ACDK5R1
SCHEMBL3445103 0.80 CDK5 (0.48) CDK5CDK1CCNA2CDK2CCNA1
SCHEMBL3446216 0.80 CDK5 (0.48) CDK5CDK1CCNA2CDK2CCNA1
SCHEMBL3445105 0.80 CDK5 (0.48) CDK5CDK1CCNA2CDK2CCNA1
SCHEMBL3445107 0.80 CDK5 (0.48) CDK5CDK1CCNA2CDK2CCNA1
SCHEMBL3445621 0.79 EGFR (0.40) NTRK1LMNAHPGDSMN1; SMN2EGFR

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-7816350-B2 Substituted [1,2,3] triazolo[4,5-D]pyrimidines as cdk inhibitors INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2010-10-19 — — US claimed
US-7816350-B2 Substituted [1,2,3] triazolo[4,5-D]pyrimidines as cdk inhibitors INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2010-10-19 — — US disclosed
US-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2006-02-16 — — US disclosed
EP-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 — — EP disclosed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 — — 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 (1 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-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout CDK8, CDK6, CDK1 CDK5 9/4885CDK1 3/4885CCNA2 16/4885

“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.