SCHEMBL3445784

SCHEMBL3445784

COc1ccc(CNc2nc(NCC(C)N)nc3[nH]nnc23)c(O)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 9/20 0.37
CDK2 P24941 9/20 0.37
CCNE2 O96020 4/20 0.37
CCNT1 O60563 3/20 0.37
CDK9 P50750 3/20 0.37
CCNT2 O60583 2/20 0.37
SYK P43405 1/20 0.36
CCNB2 O95067 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
BCDIN3D Q7Z5W3 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
HTT P42858 3/20 0.33
PKM P14618 2/20 0.33
HPGD P15428 2/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL3444888 0.91 CCNE1 (0.46) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3445280 0.91 CDK2 (0.43) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3443972 0.86 CCNE1 (0.38) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3445789 0.86 SYK (0.35) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3445017 0.85 SYK (0.36) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3445932 0.83 CDK1 (0.43) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3444617 0.83 CDK2 (0.46) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3445773 0.81 POLB (0.46) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3444714 0.81 CDK2 (0.55) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL3446055 0.80 CDK2 (0.43) CCNE1CDK2CCNE2CCNT1CDK9

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 CCNE1 37/4885CDK2 13/4885CCNE2 48/4885

“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.