SCHEMBL5827486

SCHEMBL5827486

Cn1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(N(OCCO)OCCO)nc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.58
CCNE2 O96020 11/20 0.58
CCNE1 P24864 11/20 0.58
CDK1 P06493 5/20 0.56
CCNA2 P20248 3/20 0.56
CCNA1 P78396 3/20 0.56
CDK5 Q00535 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CCNB2 O95067 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
GAA P10253 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CCNB1 P14635 1/20 0.56
ALOX15 P16050 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK3 P27361 1/20 0.56
MAPK1 P28482 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
SCHEMBL5827485 0.82 CDK2 (0.61) CDK2CCNE2CCNE1CDK1CCNA2
SCHEMBL17628595 0.77 CDK1 (0.86) CDK2CCNE2CCNE1CDK1CCNA2
SCHEMBL5828510 0.76 CDK1 (0.65) CDK2CCNE2CCNE1CDK1CCNA2
SCHEMBL3686041 0.76 CCNE2 (0.77) CDK2CCNE2CCNE1CDK1CCNA2
SCHEMBL5827987 0.74 CDK2 (0.75) CDK2CCNE2CCNE1CDK1CCNA2
SCHEMBL17628612 0.73 CDK2 (0.89) CDK2CCNE2CCNE1CDK1CCNA2
SCHEMBL17628614 0.73 CDK2 (0.89) CDK2CCNE2CCNE1CDK1CCNA2
Olomoucine SCHEMBL135056 0.72 CDK1 (1.00) CDK2CCNE2CCNE1CDK1CCNA2
SCHEMBL3682526 0.71 PRUNE1 (0.70) CDK2CCNE2CCNE1CDK1CCNA2
SCHEMBL27562797 0.71 CDK2 (0.77) CDK2CCNE2CCNE1CDK1CCNA2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1021186-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS INC (US) 2005-06-29 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
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$g(a) CV THERAPEUTICS, INC. (US) 2000-08-03 WO disclosed
EP-1021186-A4 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS INC (US) 2000-07-26 EP disclosed
EP-1021186-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS, INC. (US) 2000-07-26 EP disclosed
WO-1998005335-A9 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) 1998-05-28 WO disclosed
WO-1998005335-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) CV THERAPEUTICS, INC. (US) 1998-02-12 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 (3 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 CDK2 5/4885CCNE2 65/4885CCNE1 51/4885
US-20020032327-A1 Purine inhibitors of cyclin dependent kinase 2 & IkappaBalpha CDKN1A, CCNK, CDK1 CDK2 4/4885CCNE2 132/4885CCNE1 82/4885
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa AURKB, CDKN1A, IKBKB CDK2 8/4885CCNE2 202/4885CCNE1 96/4885

“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.