SCHEMBL3444262

SCHEMBL3444262

COc1cc(O)c(CNc2nc(NCC(C)N)nc3nn[nH]c23)c(O)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
SYK P43405 2/20 0.33
CCNE2 O96020 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
IP6K1 Q92551 2/20 0.31
IP6K3 Q96PC2 1/20 0.31
IP6K2 Q9UHH9 1/20 0.31
SRC P12931 2/20 0.31
CCNA2 P20248 1/20 0.31
CCNA1 P78396 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BCDIN3D Q7Z5W3 3/20 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
SCHEMBL3445331 0.91 MAPT (0.37) MAPTCCNE2CCNE1CDK2IP6K1
SCHEMBL3444829 0.88 BCDIN3D (0.35) SYKCCNE2CCNE1CDK2CCNA2
SCHEMBL3444253 0.85 CCNE1 (0.34) MAPTSYKCCNE2CCNE1CDK2
SCHEMBL3445684 0.83 CDK1 (0.39) MAPTCCNE2CCNE1CDK2SRC
SCHEMBL3445020 0.83 SYK (0.35) MAPTSYKCCNE2CCNE1CDK2
SCHEMBL3445847 0.81 CDK1 (0.39) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL3445239 0.79 CDK2 (0.40) CCNE2CCNE1CDK2CCNA2CCNA1
SCHEMBL3445789 0.79 SYK (0.35) MAPTSYKCCNE2CCNE1CDK2
SCHEMBL3444057 0.79 CDK2 (0.35) CCNE1CDK2
SCHEMBL3445185 0.78 BCDIN3D (0.35) CCNE2CCNE1CDK2CCNA2CCNA1

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 MAPT 642/4885SYK 2306/4885CCNE2 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.