SCHEMBL3445255

SCHEMBL3445255

COc1cc(O)c(CNc2nc(NCC(C)N)nc3c2N(C(C)C)NN3C(C)C)cc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
BCDIN3D Q7Z5W3 5/20 0.34
CCNE1 P24864 6/20 0.32
CDK2 P24941 6/20 0.32
CCNT1 O60563 5/20 0.32
CDK9 P50750 5/20 0.32
CDK5 Q00535 3/20 0.32
CDK5R1 Q15078 3/20 0.32
CCNB2 O95067 2/20 0.32
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
CCNB3 Q8WWL7 2/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
CCNE2 O96020 3/20 0.31
CCNA2 P20248 1/20 0.31
CCNA1 P78396 1/20 0.31
CCNT2 O60583 2/20 0.31
EGFR P00533 1/20 0.30
KDR P35968 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
SCHEMBL3444416 0.92 CDK2 (0.34) BCDIN3DCCNE1CDK2CCNT1CDK9
SCHEMBL3444188 0.87 BCDIN3D (0.38) BCDIN3DCCNE1CDK2CCNT1CDK9
SCHEMBL3446628 0.85 CCNE1 (0.36) SYKBCDIN3DCCNE1CDK2CCNT1
SCHEMBL3444999 0.85 PKM (0.45) CCNE1CDK2CCNT1CDK9CCNE2
SCHEMBL3445088 0.84 CDK1 (0.42) CCNE1CDK2CCNT1CDK9CDK5
SCHEMBL3444058 0.83 BCDIN3D (0.33) SYKBCDIN3DCCNE1CDK2CCNE2
SCHEMBL3445382 0.83 CDK2 (0.47) CCNE1CDK2CCNT1CDK9CDK5
SCHEMBL3444086 0.83 CDK2 (0.49) CCNE1CDK2CCNT1CDK9CDK5
SCHEMBL3446468 0.81 CDK2 (0.49) SYKBCDIN3DCCNE1CDK2CCNT1
SCHEMBL3444140 0.79 BCDIN3D (0.37) BCDIN3DCCNE1CDK2CCNT1CDK9

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 SYK 2306/4885BCDIN3D 2919/4885CCNE1 37/4885

“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.