SCHEMBL3444276

SCHEMBL3444276

Nc1cccc(Cl)c1CNc1nc(NC2CCC(N)CC2)nc2nn[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.41
CCNA2 P20248 7/20 0.41
CDK1 P06493 6/20 0.41
CCNT1 O60563 4/20 0.41
CDK5 Q00535 3/20 0.41
CDK4 P11802 3/20 0.41
CCNB1 P14635 3/20 0.41
CCND1 P24385 3/20 0.41
CDK9 P50750 2/20 0.41
CDK5R1 Q15078 2/20 0.41
CDK6 Q00534 1/20 0.41
CCNE1 P24864 15/20 0.40
CCNE2 O96020 8/20 0.40
CCNA1 P78396 6/20 0.40
PTPN11 Q06124 1/20 0.39
PAK4 O96013 1/20 0.36
CCNB2 O95067 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
FLT3 P36888 1/20 0.36
CDK7 P50613 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
SCHEMBL3444270 0.86 CDK2 (0.45) CDK2CCNA2CDK1CCNT1CDK5
SCHEMBL3444476 0.85 CDK2 (0.42) CDK2CCNA2CDK1CCNT1CDK5
SCHEMBL3445583 0.85 CDK2 (0.54) CDK2CCNA2CDK1CCNT1CDK5
SCHEMBL3445419 0.83 CDK2 (0.42) CDK2CCNA2CDK1CCNT1CDK5
SCHEMBL3444075 0.81 CDK2 (0.44) CDK2CCNA2CDK1CCNT1CDK5
SCHEMBL3444296 0.80 CDK2 (0.42) CDK2CCNA2CDK1CCNT1CDK5
SCHEMBL3446304 0.78 BCDIN3D (0.35) CDK2CCNA2CCNE1CCNE2CCNA1
SCHEMBL3445925 0.78 CDK2 (0.48) CDK2CCNA2CDK1CCNT1CDK5
SCHEMBL3445251 0.77 CDK2 (0.44) CDK2CDK1CDK5CDK9CCNE1
SCHEMBL3445150 0.76 CCNE1 (0.48) CDK2CCNA2CDK1CCNT1CDK5

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 13/4885CCNA2 16/4885CDK1 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.