SCHEMBL3453489

SCHEMBL3453489

CC(C)n1nnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc21

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.72
PDGFRA P16234 8/20 0.64
CCNE1 P24864 8/20 0.64
CDK2 P24941 8/20 0.64
PRKCA P17252 2/20 0.64
CLK1 P49759 4/20 0.53
CLK2 P49760 4/20 0.53
CLK4 Q9HAZ1 4/20 0.53
CDK4 P11802 1/20 0.53
CCNB1 P14635 1/20 0.53
CCND3 P30281 1/20 0.53
EGFR P00533 1/20 0.52
PAK4 O96013 1/20 0.52

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
SCHEMBL3445788 1.00 CDK1 (0.72) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL3445648 0.89 CDK1 (0.56) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL3445218 0.89 CDK2 (0.62) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL3446815 0.89 CDK2 (0.61) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL3444708 0.88 CDK1 (0.67) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL3445283 0.86 CDK1 (0.54) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL3444440 0.86 CDK1 (0.54) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL3445138 0.86 CLK1 (0.73) CDK1CCNE1CDK2PRKCACLK1
SCHEMBL3445975 0.85 CDK1 (0.72) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL3444543 0.83 FLT3 (0.70) CDK1PDGFRACCNE1CDK2

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 2 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 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 CDK1 3/4885PDGFRA 1923/4885CCNE1 37/4885

“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.