SCHEMBL3445173

SCHEMBL3445173

CCC(CO)Nc1nc(NCc2c(O)cc(OC)cc2O)c2c(n1)N(C(C)C)NN2C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.44
CCNA2 P20248 2/20 0.44
CCNA1 P78396 2/20 0.44
CDK1 P06493 12/20 0.41
CCNB1 P14635 5/20 0.41
CCNB2 O95067 4/20 0.41
CCNB3 Q8WWL7 4/20 0.41
CCNE1 P24864 10/20 0.40
CDK9 P50750 7/20 0.40
CCNT1 O60563 5/20 0.40
CCNE2 O96020 2/20 0.40
CCNT2 O60583 1/20 0.40
CDK5 Q00535 6/20 0.40
CDK5R1 Q15078 4/20 0.40
CACNA1B Q00975 2/20 0.40
CCNK O75909 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
CDK7 P50613 4/20 0.38
CSNK1D P48730 2/20 0.38
CLK2 P49760 2/20 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
SCHEMBL3445366 0.89 CDK2 (0.46) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3445444 0.88 CDK1 (0.40) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3445382 0.84 CDK2 (0.47) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3445636 0.83 CDK2 (0.35) CDK2CDK1CCNE1CDK9CCNE2
SCHEMBL3444058 0.83 BCDIN3D (0.33) CDK2CCNA2CCNA1CCNE1CCNE2
SCHEMBL3445025 0.81 CDK2 (0.54) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3445300 0.80 CDK2 (0.51) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3445452 0.80 CDK2 (0.64) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3444129 0.79 CDK2 (0.65) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3444333 0.78 CDK2 (0.43) CDK2CCNA2CCNA1CDK1CCNB1

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-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
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 13/4885CCNA2 16/4885CCNA1 25/4885

“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.