SCHEMBL3445372

SCHEMBL3445372

CC(C)N1NN(C(C)C)c2c(Nc3cc(N)cc(Cl)c3)nc(NC3CCC(N)CC3)nc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.48
CLK1 P49759 9/20 0.47
CLK2 P49760 9/20 0.47
CLK4 Q9HAZ1 9/20 0.47
CCNB1 P14635 1/20 0.44
CLK3 P49761 1/20 0.44
PDGFRA P16234 7/20 0.43
CCNE1 P24864 7/20 0.43
CDK2 P24941 7/20 0.43
PRKCA P17252 1/20 0.42
FLT3 P36888 1/20 0.41

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
SCHEMBL3460512 0.89 CDK1 (0.62) CDK1CLK1CLK2CLK4CCNB1
SCHEMBL3445422 0.89 CCNE1 (0.53) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL3445277 0.86 CDK1 (0.46) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL3445026 0.86 CDK1 (0.46) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL3444246 0.85 CLK1 (0.62) CDK1CLK1CLK2CLK4CCNB1
SCHEMBL3445244 0.84 CDK2 (0.52) CDK1CCNB1PDGFRACCNE1CDK2
SCHEMBL3444845 0.83 FLT3 (0.59) CDK1PDGFRACCNE1CDK2FLT3
SCHEMBL3445530 0.81 CDK1 (0.43) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL3444208 0.81 CDK1 (0.43) CDK1CCNB1PDGFRACCNE1CDK2
SCHEMBL3444260 0.80 CDK2 (0.48) CDK1CCNB1PDGFRACCNE1CDK2

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 7 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
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 CDK1 3/4885CLK1 804/4885CLK2 1280/4885

“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.