Sugi Predict

Sugi Predict / Compounds / SCHEMBL5827744

SCHEMBL5827744

SCHEMBL5827744

CCCn1cnc2c(NCc3ccc(OC)cc3)nc(N(CCO)CCO)nc21

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 13/20 0.89
▸ CCNE1 P24864 13/20 0.89
▸ CDK2 P24941 13/20 0.89
▸ PDE5A O76074 2/20 0.72
▸ PDE4D Q08499 2/20 0.72
▸ CCNT1 O60563 1/20 0.72
▸ CDK1 P06493 1/20 0.72
▸ CCNB1 P14635 1/20 0.72
▸ CCNA2 P20248 1/20 0.72
▸ CDK7 P50613 1/20 0.72
▸ CDK9 P50750 1/20 0.72
▸ CCNH P51946 1/20 0.72
▸ MNAT1 P51948 1/20 0.72
▸ CDK5 Q00535 1/20 0.72
▸ CDK5R1 Q15078 1/20 0.72
▸ PDE10A Q9Y233 1/20 0.72
▸ PRUNE1 Q86TP1 1/20 0.67
▸ CTSL P07711 1/20 0.58
▸ PDE6C P51160 1/20 0.57
▸ CCNK O75909 2/20 0.56

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
SCHEMBL5828592 0.89 CCNE2 (0.70) CCNE2CCNE1CDK2PDE5APDE4D
SCHEMBL5827557 0.86 CCNE2 (0.67) CCNE2CCNE1CDK2PDE5APDE4D
SCHEMBL5828753 0.84 CCNE2 (0.65) CCNE2CCNE1CDK2PDE5APDE4D
SCHEMBL1394958 0.84 CCNE2 (1.00) CCNE2CCNE1CDK2PDE5APDE4D
SCHEMBL6944109 0.81 CCNE2 (0.76) CCNE2CCNE1CDK2CDK1CTSL
SCHEMBL5828466 0.78 CCNE2 (0.56) CCNE2CCNE1CDK2PDE5APDE4D
SCHEMBL4272902 0.76 CCNE2 (0.84) CCNE2CCNE1CDK2PDE5APDE4D
SCHEMBL27249676 0.76 CCNE2 (0.61) CCNE2CCNE1CDK2PDE5APDE4D
SCHEMBL27249597 0.75 CCNE2 (0.60) CCNE2CCNE1CDK2PDE5APDE4D
SCHEMBL14071580 0.73 CDK2 (0.85) CCNE2CCNE1CDK2PDE5APDE4D

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-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa LUM ROBERT T (US) 2002-03-21 — — US claimed
US-7109330-B2 Purine inhibitors of cyclin dependent kinase 2 and IκB-α CV THERAPEUTICS, INC. (US) 2006-09-19 — — US disclosed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 — — US disclosed
US-6790958-B2 ANTIPROLIFERATIVE AGENTS; FUNGICIDES LUM ROBERT T (US) 2004-09-14 — — US disclosed
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa LUM ROBERT T (US) 2002-03-21 — — US disclosed
EP-1150982-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND I$g(k)-A$g(a) CV THERAPEUTICS, INC. (US) 2001-11-07 — — EP disclosed
WO-2000044750-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND Iλ-A$g(a) CV THERAPEUTICS, INC. (US) 2000-08-03 — — 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 (2 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-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 CCNE2 65/4885CCNE1 51/4885CDK2 5/4885
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa AURKB, CDKN1A, IKBKB CCNE2 202/4885CCNE1 96/4885CDK2 8/4885

“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.