SCHEMBL3445267

SCHEMBL3445267

CC(N)CNc1nc(Nc2ccc(Cl)c(N)c2)c2nn[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.38
BCDIN3D Q7Z5W3 7/20 0.37
BCL6 P41182 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
FLT3 P36888 2/20 0.33
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
EIF2AK2 P19525 1/20 0.32
GSK3B P49841 1/20 0.32
MERTK Q12866 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
SCHEMBL3444947 0.92 SYK (0.38) SYKBCDIN3DBCL6NCOR2CDK5
SCHEMBL3444921 0.91 FLT3 (0.41) SYKBCDIN3DBCL6NCOR2CDK5
SCHEMBL3446539 0.86 FLT3 (0.43) SYKBCDIN3DTRPV1FLT3CDK1
SCHEMBL3444304 0.85 CDK1 (0.46) SYKCDK5CDK5R1CDK1CCNB1
SCHEMBL3445271 0.85 TACR2 (0.38) SYKBCDIN3DBCL6NCOR2
SCHEMBL3444824 0.85 BCDIN3D (0.46) BCDIN3DCDK5CDK1
SCHEMBL3445546 0.84 CDK1 (0.46) SYKBCDIN3DCDK5CDK5R1CDK1
SCHEMBL3444417 0.84 CDK5 (0.46) SYKBCL6NCOR2CDK5CDK5R1
SCHEMBL3446011 0.83 CLK1 (0.41) SYKBCDIN3DCDK5CDK5R1FLT3
SCHEMBL3444963 0.83 FLT3 (0.41) SYKBCDIN3DBCL6NCOR2CDK5

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 SYK 2306/4885BCDIN3D 2919/4885BCL6 169/4885

“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.