SCHEMBL3445244

SCHEMBL3445244

CC(C)N1NN(C(C)C)c2c(Nc3ccccc3)nc(NC3CCC(N)CC3)nc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.52
CCNE1 P24864 10/20 0.52
PDGFRA P16234 8/20 0.52
FLT3 P36888 3/20 0.48
SRC P12931 1/20 0.48
CDK1 P06493 5/20 0.47
CCNA2 P20248 4/20 0.43
CCNT1 O60563 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CDK9 P50750 1/20 0.43
CDK6 Q00534 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CCNE2 O96020 3/20 0.42
CCNA1 P78396 3/20 0.42
NPY5R Q15761 1/20 0.42
WHR1 P49842 1/20 0.41

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
SCHEMBL3445422 0.90 CCNE1 (0.53) CDK2CCNE1PDGFRAFLT3CDK1
SCHEMBL3444845 0.90 FLT3 (0.59) CDK2CCNE1PDGFRAFLT3SRC
SCHEMBL3460512 0.89 CDK1 (0.62) CDK2CCNE1PDGFRACDK1CCNA2
SCHEMBL3446136 0.85 CDK2 (0.59) CDK2CCNE1FLT3CDK1CCNA2
SCHEMBL3445372 0.84 CDK1 (0.48) CDK2CCNE1PDGFRAFLT3CDK1
SCHEMBL3445691 0.84 CLK1 (0.48) CDK2CCNE1CDK1CCNA2CCNT1
SCHEMBL3445277 0.84 CDK1 (0.46) CDK2CCNE1PDGFRAFLT3CDK1
SCHEMBL3445026 0.84 CDK1 (0.46) CDK2CCNE1PDGFRAFLT3CDK1
SCHEMBL3444176 0.83 FLT3 (0.41) CDK2CCNE1PDGFRAFLT3SRC
SCHEMBL3445530 0.82 CDK1 (0.43) CDK2CCNE1PDGFRAFLT3CDK1

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 3 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
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 CDK2 13/4885CCNE1 37/4885PDGFRA 1923/4885

“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.