SCHEMBL3445185

SCHEMBL3445185

CC(N)CNc1nc(NCc2cc(O)c(Cl)cc2O)c2[nH]nnc2n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 3/20 0.35
CCNE1 P24864 11/20 0.34
CDK2 P24941 11/20 0.34
CDK5 Q00535 7/20 0.34
CDK5R1 Q15078 7/20 0.34
CDK7 P50613 5/20 0.34
CCNH P51946 5/20 0.34
CCNT1 O60563 7/20 0.33
CDK9 P50750 7/20 0.33
CCNE2 O96020 2/20 0.33
CCNT2 O60583 1/20 0.33
CCR4 P51679 2/20 0.33
PGK1 P00558 1/20 0.32
CCNA2 P20248 1/20 0.31
CCNA1 P78396 1/20 0.31

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
SCHEMBL3445634 0.91 CDK2 (0.38) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL3445020 0.87 SYK (0.35) BCDIN3DCCNE1CDK2CDK5CDK5R1
SCHEMBL3445179 0.85 CCNE1 (0.36) BCDIN3DCCNE1CDK2CDK5CDK5R1
SCHEMBL3443976 0.84 BCDIN3D (0.35) BCDIN3DCCNE1CDK2CDK5CDK5R1
SCHEMBL3444829 0.84 BCDIN3D (0.35) BCDIN3DCCNE1CDK2CDK5CDK5R1
SCHEMBL3444826 0.83 CDK1 (0.42) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL3445953 0.81 CDK2 (0.49) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL3444828 0.78 BCDIN3D (0.45) BCDIN3DCCNE1CDK2CDK5CCNE2
SCHEMBL3444262 0.78 MAPT (0.36) BCDIN3DCCNE1CDK2CCNE2CCNA2
SCHEMBL3445925 0.78 CDK2 (0.48) CCNE1CDK2CDK5CDK5R1CDK7

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 BCDIN3D 2919/4885CCNE1 37/4885CDK2 13/4885

“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.