SCHEMBL3445249

SCHEMBL3445249

CC(O)CNc1nc(NCc2c(N)cccc2Cl)c2nn[nH]c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.49
CCNE1 P24864 7/20 0.49
CDK1 P06493 3/20 0.39
CDK5 Q00535 4/20 0.38
CDK9 P50750 3/20 0.38
CDK7 P50613 2/20 0.38
KDM1A O60341 2/20 0.33
RCOR1 Q9UKL0 2/20 0.33
AURKA O14965 1/20 0.33
CCNE2 O96020 1/20 0.33
SMOX Q9NWM0 1/20 0.33
LCK P06239 2/20 0.33
BTK Q06187 2/20 0.33
CCNT1 O60563 1/20 0.32
CCNH P51946 1/20 0.32
CDK5R1 Q15078 1/20 0.32
MAPK14 Q16539 1/20 0.32
CSF1R P07333 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3446300 0.91 CCNE1 (0.39) CDK2CCNE1CDK5KDM1ARCOR1
SCHEMBL3445251 0.85 CDK2 (0.44) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3445229 0.84 CDK2 (0.42) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3446442 0.84 CDK2 (0.68) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3445344 0.82 CDK2 (0.47) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3444787 0.82 CDK2 (0.51) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3445099 0.81 CDK2 (0.44) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3444838 0.80 CDK2 (0.45) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3444052 0.80 CDK2 (0.39) CDK2CCNE1CDK1CDK5CDK9
SCHEMBL3445298 0.79 CDK2 (0.44) CDK2CCNE1CDK1CDK5CDK9

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 CDK2 13/4885CCNE1 37/4885CDK1 3/4885

“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.