SCHEMBL3445561

SCHEMBL3445561

CC(O)CNc1nc(NCc2ccc(Cl)c(O)c2O)c2nn[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.44
CCNE1 P24864 8/20 0.44
CDK1 P06493 5/20 0.38
CDK5 Q00535 6/20 0.37
CDK9 P50750 5/20 0.37
CDK7 P50613 3/20 0.37
CDK5R1 Q15078 3/20 0.35
CCNT1 O60563 3/20 0.35
FLT3 P36888 3/20 0.33
CCNH P51946 2/20 0.33
CCNB2 O95067 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
CCNT2 O60583 1/20 0.31
CCNE2 O96020 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3443972 0.91 CCNE1 (0.38) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3445280 0.86 CDK2 (0.43) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3445563 0.85 CDK2 (0.39) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3445626 0.84 CDK2 (0.42) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3445282 0.83 CDK1 (0.44) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3444617 0.81 CDK2 (0.46) CDK2CCNE1CDK1CDK9CCNT1
SCHEMBL3445213 0.81 CDK2 (0.46) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3445344 0.80 CDK2 (0.47) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3455221 0.80 CDK2 (0.43) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3446759 0.79 CDK2 (0.44) CDK2CCNE1CDK1CDK5CDK9

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 8 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-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 claimed
EP-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 EP claimed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO 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 CDK2 13/4885CCNE1 37/4885CDK1 3/4885

“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.