SCHEMBL3445804

SCHEMBL3445804

CC(N)CNc1nc(NCc2c(N)cccc2Cl)c2c(n1)N(C(C)C)NN2C(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 10/20 0.38
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
CCNE2 O96020 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
CSF1R P07333 1/20 0.33
PRKCI P41743 2/20 0.32
LCK P06239 2/20 0.32
BTK Q06187 2/20 0.32
MAPK14 Q16539 1/20 0.31
KDM1A O60341 1/20 0.31
SMOX Q9NWM0 1/20 0.31
RCOR1 Q9UKL0 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
SCHEMBL3445226 0.92 CDK2 (0.41) BCDIN3DCCNE1CDK2CSF1R
SCHEMBL3446460 0.84 CDK2 (0.46) BCDIN3DCCNE1CDK2CCNE2CCNA2
SCHEMBL3444269 0.84 CDK2 (0.40) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL3444742 0.83 BCDIN3D (0.48) BCDIN3DCCNE1CDK2CCNE2CCNA2
SCHEMBL3445245 0.83 CDK2 (0.45) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL3446194 0.82 CDK2 (0.44) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL3445549 0.81 CDK2 (0.50) BCDIN3DCCNE1CDK2CCNE2CCNA2
SCHEMBL3454211 0.81 CDK2 (0.43) BCDIN3DCCNE1CDK2CCNE2CCNA2
SCHEMBL3444140 0.81 BCDIN3D (0.37) BCDIN3DCCNE1CDK2CCNE2CCNA2
SCHEMBL3445700 0.79 BCDIN3D (0.38) BCDIN3DCCNE1CDK2CCNE2CCNA2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.