SCHEMBL5828748

SCHEMBL5828748

CC(C)n1cnc2c(NCc3ccc(Cl)cc3)nc(N(CCN)CCO)nc21

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 13/20 0.75
CDK2 P24941 13/20 0.75
CCNE2 O96020 12/20 0.75
CDK5 Q00535 7/20 0.73
CDK5R1 Q15078 6/20 0.73
CDK1 P06493 3/20 0.73
CCNT1 O60563 1/20 0.73
PDE5A O76074 1/20 0.73
CCNB1 P14635 1/20 0.73
CCNA2 P20248 1/20 0.73
CDK7 P50613 1/20 0.73
CDK9 P50750 1/20 0.73
CCNH P51946 1/20 0.73
MNAT1 P51948 1/20 0.73
PDE4D Q08499 1/20 0.73
PDE10A Q9Y233 1/20 0.73
ATM Q13315 1/20 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
SCHEMBL3680752 0.95 CCNE1 (0.82) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL14071580 0.88 CDK2 (0.85) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL6143053 0.86 CDK2 (1.00) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL5828753 0.85 CCNE2 (0.65) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL1394958 0.84 CCNE2 (1.00) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL5827556 0.83 CCNE2 (0.78) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL2364042 0.82 CDK1 (0.87) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL4277404 0.81 CDK1 (1.00) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL5828592 0.79 CCNE2 (0.70) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL3679286 0.79 CCNE1 (0.65) CCNE1CDK2CCNE2CDK5CDK5R1

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
EP-1150982-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha CV THERAPEUTICS INC (US) 2005-10-12 EP claimed
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
EP-1150982-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha CV THERAPEUTICS INC (US) 2005-10-12 EP 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

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 CCNE1 51/4885CDK2 5/4885CCNE2 65/4885
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa AURKB, CDKN1A, IKBKB CCNE1 96/4885CDK2 8/4885CCNE2 202/4885

“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.