Sugi Predict

Sugi Predict / Compounds / SCHEMBL3444367

SCHEMBL3444367

SCHEMBL3444367

CC(C)[C@H](CO)Nc1nc(NCc2c(O)cc(Cl)cc2O)c2nnn(C(C)C)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.51
▸ CCNE1 P24864 5/20 0.51
▸ CDK1 P06493 11/20 0.48
▸ CCNB2 O95067 6/20 0.48
▸ CCNB1 P14635 6/20 0.48
▸ CCNB3 Q8WWL7 6/20 0.48
▸ KDM4E B2RXH2 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CLK1 P49759 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3444363 1.00 CDK2 (0.51) CDK2CCNE1CDK1CCNB2CCNB1
SCHEMBL3445938 0.90 CDK2 (0.50) CDK2CCNE1CDK1CCNB2CCNB1
SCHEMBL3445947 0.90 CDK2 (0.50) CDK2CCNE1CDK1CCNB2CCNB1
SCHEMBL3446158 0.89 CDK1 (0.48) CDK2CCNE1CDK1CCNB2CCNB1
SCHEMBL3446165 0.89 CDK1 (0.48) CDK2CCNE1CDK1CCNB2CCNB1
SCHEMBL3445759 0.88 CDK2 (0.54) CDK2CCNE1CDK1CCNB2CCNB1
SCHEMBL3446313 0.88 CDK2 (0.48) CDK2CCNE1CDK1CCNB2CCNB1
SCHEMBL3446315 0.88 CDK2 (0.48) CDK2CCNE1CDK1CCNB2CCNB1
SCHEMBL3446471 0.85 CDK1 (0.51) CDK2CCNE1CDK1CCNB2CCNB1
SCHEMBL3446473 0.85 CDK1 (0.51) CDK2CCNE1CDK1CCNB2CCNB1

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-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-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 37/4885CDK1 3/4885

“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.