SCHEMBL3445201

SCHEMBL3445201

CC(N)CNc1nc(NCc2ccccc2N)c2[nH]nnc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 9/20 0.50
CDK2 P24941 9/20 0.50
CDK5 Q00535 5/20 0.41
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
CDK5R1 Q15078 3/20 0.41
CDK7 P50613 2/20 0.41
CCNH P51946 2/20 0.41
CCNE2 O96020 2/20 0.41
AURKA O14965 1/20 0.41
CCNA2 P20248 1/20 0.39
CCNA1 P78396 1/20 0.39
EGFR P00533 1/20 0.33
BCDIN3D Q7Z5W3 3/20 0.32
IP6K1 Q92551 2/20 0.32
ATM Q13315 1/20 0.32
SYK P43405 1/20 0.32
CDK1 P06493 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 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
SCHEMBL3446445 0.91 CDK2 (0.62) CCNE1CDK2CDK5CCNT1CDK9
SCHEMBL3445243 0.86 CDK2 (0.49) CCNE1CDK2CDK5CCNT1CDK9
SCHEMBL3445116 0.85 CDK2 (0.38) CCNE1CDK2CDK5CCNT1CDK9
SCHEMBL3445196 0.84 CDK2 (0.56) CCNE1CDK2CDK5CCNT1CDK9
SCHEMBL3446304 0.84 BCDIN3D (0.35) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL3444569 0.83 CCNE1 (0.37) CCNE1CDK2CDK5CCNT1CDK9
SCHEMBL3445569 0.82 CDK2 (0.49) CCNE1CDK2CDK5CCNT1CDK9
SCHEMBL3444896 0.81 CCNE1 (0.43) CCNE1CDK2CCNT1CDK9CCNE2
SCHEMBL3444300 0.80 TACR2 (0.43) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL3444828 0.80 BCDIN3D (0.45) CCNE1CDK2CDK5CCNE2CCNA2

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 CCNE1 37/4885CDK2 13/4885CDK5 9/4885

“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.