SCHEMBL3445151

SCHEMBL3445151

CC(O)CNc1nc(Nc2ccccc2)c2c(n1)N(C(C)C)NN2C(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.44
CDK1 P06493 2/20 0.42
CDK2 P24941 2/20 0.42
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
BCDIN3D Q7Z5W3 8/20 0.38
CCNE1 P24864 1/20 0.36
GBA1 P04062 1/20 0.35
TACR2 P21452 1/20 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
SCHEMBL3444667 0.89 FLT3 (0.57) FLT3CDK1CDK2MAPTBCDIN3D
SCHEMBL3444399 0.89 FLT3 (0.49) FLT3CDK1CDK2BCDIN3DTACR2
SCHEMBL3444615 0.89 BCDIN3D (0.42) CDK2TP53MAPTBCDIN3DCCNE1
SCHEMBL3444469 0.88 CDK1 (0.46) FLT3CDK1CDK2TP53MAPT
SCHEMBL3445919 0.86 CDK2 (0.56) FLT3CDK1CDK2MAPTCCNE1
SCHEMBL3445408 0.82 CDK1 (0.44) FLT3CDK1CDK2MAPTCCNE1
SCHEMBL3445660 0.82 FLT3 (0.39) FLT3CDK2BCDIN3DCCNE1
SCHEMBL3444650 0.82 CDK5 (0.44) FLT3CDK1CDK2BCDIN3DCCNE1
SCHEMBL3445665 0.82 CDK1 (0.44) FLT3CDK1CDK2MAPTBCDIN3D
SCHEMBL3445746 0.81 CLK1 (0.41) FLT3CDK1CDK2TP53MAPT

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 FLT3 3465/4885CDK1 3/4885CDK2 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.