SCHEMBL3445282

SCHEMBL3445282

CC(C)C(CO)Nc1nc(NCc2ccc(Cl)c(O)c2O)c2nn[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 9/20 0.44
CCNB2 O95067 5/20 0.44
CCNB1 P14635 5/20 0.44
CCNB3 Q8WWL7 5/20 0.44
CDK2 P24941 13/20 0.43
CCNE1 P24864 10/20 0.43
CDK5 Q00535 9/20 0.37
CDK5R1 Q15078 8/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
CLK1 P49759 1/20 0.37
RAB9A P51151 1/20 0.37
CCNT1 O60563 3/20 0.36
CDK9 P50750 3/20 0.36
CDK7 P50613 2/20 0.36
CCNH P51946 2/20 0.36
CCNE2 O96020 3/20 0.35
ALDH1A1 P00352 2/20 0.35
INSR P06213 2/20 0.35
PRKACA P17612 2/20 0.35

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
SCHEMBL3445932 0.87 CDK1 (0.43) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL3445213 0.86 CDK2 (0.46) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL3445287 0.86 CDK1 (0.42) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL3444823 0.85 CDK1 (0.44) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL3445561 0.83 CDK2 (0.44) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL3443972 0.82 CCNE1 (0.38) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL3444272 0.82 CDK2 (0.52) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL3445174 0.82 CDK1 (0.50) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL3445176 0.82 CDK1 (0.50) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL3444273 0.81 CDK2 (0.48) CDK1CCNB2CCNB1CCNB3CDK2

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 4 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
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

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 3/4885CCNB2 61/4885CCNB1 36/4885

“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.