SCHEMBL3686041

SCHEMBL3686041

COc1ccc(CNc2nc(N(OCCO)OCCO)nc3c2ncn3C(C)C)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 10/20 0.77
CCNE1 P24864 10/20 0.77
CDK2 P24941 10/20 0.77
CDK5 Q00535 5/20 0.77
CDK5R1 Q15078 5/20 0.77
CDK1 P06493 4/20 0.77
CCNB1 P14635 2/20 0.77
CCNT1 O60563 1/20 0.77
PDE5A O76074 1/20 0.77
CCNA2 P20248 1/20 0.77
CDK7 P50613 1/20 0.77
CDK9 P50750 1/20 0.77
CCNH P51946 1/20 0.77
MNAT1 P51948 1/20 0.77
PDE4D Q08499 1/20 0.77
PDE10A Q9Y233 1/20 0.77
TDP1 Q9NUW8 1/20 0.67
CCNB2 O95067 1/20 0.60
CCNB3 Q8WWL7 1/20 0.60

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
SCHEMBL1394958 0.87 CCNE2 (1.00) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL4272902 0.86 CCNE2 (0.84) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL1394954 0.85 CCNE1 (0.77) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL3682526 0.83 PRUNE1 (0.70) CCNE2CCNE1CDK2CDK5CDK5R1
Myoseverin SCHEMBL13325947 0.81 TDP1 (1.00) CCNE2CCNE1CDK2CDK5CDK5R1
Myoseverin SCHEMBL29376276 0.81 TDP1 (1.00) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL5466712 0.80 CCNE1 (0.70) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL1443236 0.79 TDP1 (0.80) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL13359693 0.79 TDP1 (0.90) CCNE2CCNE1CDK2CDK5CDK5R1
SCHEMBL14587794 0.77 TDP1 (0.78) CCNE2CCNE1CDK2CDK5CDK5R1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1764118-B1 Polymer coating for medical devices GILEAD PALO ALTO INC (US) 2010-08-25 EP disclosed
EP-1937328-B1 POLYMER COATING FOR MEDICAL DEVICES CV THERAPEUTICS INC (US) 2009-08-26 EP disclosed
US-7419709-B2 Polymer coating for medical devices CV THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20080160166-A1 POLYMER COATING FOR MEDICAL DEVICES RYPACEK FRANTISEK 2008-07-03 US disclosed
EP-1937328-A1 POLYMER COATING FOR MEDICAL DEVICES CV THERAPEUTICS, INC. (US) 2008-07-02 EP disclosed
US-7364768-B2 Polymer coating for medical devices CV THERAPEUTICS, INC. (US) 2008-04-29 US disclosed
WO-2007041972-A1 POLYMER COATING FOR MEDICAL DEVICES CV THERAPEUTICS, INC. (US) 2007-04-19 WO disclosed
US-20070071926-A1 Polymer coating for medical devices RYPACEK FRANTISEK 2007-03-29 US disclosed
US-20070071879-A1 Polymer coating for medical devices RYPACEK FRANTISEK 2007-03-29 US disclosed
EP-1764118-A2 Polymer coating for medical devices CV THERAPEUTICS, INC. (US) 2007-03-21 EP disclosed
EP-1492581-A1 POLYMER COATING FOR MEDICAL DEVICES CV THERAPEUTICS, INC. (US) 2005-01-05 EP disclosed
US-6794390-B2 TREATING CELL PROLIFERATIVE DISORDERS SUCH AS RHEUMATOID ARTHRITIS, LUPUS, TYPE I DIABETES, MULTIPLE SCLEROSIS, CANCER, RESTENOSIS, HOST GRAFT DISEASE, GOUT, AND POLYCYSTIC KIDNEY DISEASE. CV THERAPEUTICS, INC. 2004-09-21 US disclosed
US-6790958-B2 ANTIPROLIFERATIVE AGENTS; FUNGICIDES LUM ROBERT T (US) 2004-09-14 US disclosed
US-20030219562-A1 Polymer coating for medical devices CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003068289-A1 POLYMER COATING FOR MEDICAL DEVICES CV THERAPEUTICS, INC. (US) 2003-08-21 WO disclosed
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa LUM ROBERT T (US) 2002-03-21 US disclosed
US-20020032327-A1 Purine inhibitors of cyclin dependent kinase 2 & IkappaBalpha CV THERAPEUTICS, INC. 2002-03-14 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$g(a) CV THERAPEUTICS, INC. (US) 2000-08-03 WO disclosed
WO-1998005335-A9 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) 1998-05-28 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-20020032327-A1 Purine inhibitors of cyclin dependent kinase 2 & IkappaBalpha CDKN1A, CCNK, CDK1 CCNE2 132/4885CCNE1 82/4885CDK2 4/4885
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.