SCHEMBL5827985

SCHEMBL5827985

CC(O)N(c1nc(Nc2ccc(-c3ccccc3)cc2)c2ncn(C(C)C)c2n1)C(C)O

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 15/20 0.73
▸ CCNE2 O96020 8/20 0.73
▸ CCNE1 P24864 8/20 0.73
▸ CDK1 P06493 2/20 0.57
▸ CDK5 Q00535 10/20 0.53
▸ CDK5R1 Q15078 10/20 0.53
▸ CCNA2 P20248 7/20 0.53
▸ CCNA1 P78396 7/20 0.53
▸ DYRK1A Q13627 7/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ POLB P06746 1/20 0.52

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
SCHEMBL27562797 0.85 CDK2 (0.77) CDK2CCNE2CCNE1CDK1CDK5
SCHEMBL5828199 0.85 CDK2 (1.00) CDK2CCNE2CCNE1CDK1CDK5
SCHEMBL5827987 0.82 CDK2 (0.75) CDK2CCNE2CCNE1CDK1CDK5
SCHEMBL22587434 0.77 CDK1 (0.71) CDK2CCNE2CCNE1CDK1CDK5
SCHEMBL6934104 0.76 CDK5 (0.63) CDK2CCNE2CCNE1CDK1CDK5
SCHEMBL5827485 0.74 CDK2 (0.61) CDK2CCNE2CCNE1CDK1CDK5
SCHEMBL5827777 0.73 CDK5 (0.79) CDK2CCNE2CCNE1CDK1CDK5
SCHEMBL18470737 0.72 CDK5 (0.79) CDK2CCNE2CCNE1CDK5CDK5R1
SCHEMBL1394954 0.71 CCNE1 (0.77) CDK2CCNE2CCNE1CDK1CDK5
SCHEMBL17212875 0.70 CDK5 (0.78) CDK2CCNE2CCNE1CDK1CDK5

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 17 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-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-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 — — US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 — — 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$g(a) CV THERAPEUTICS, INC. (US) 2000-08-03 — — WO disclosed
EP-1021186-A4 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS INC (US) 2000-07-26 — — EP disclosed
EP-1021186-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS, INC. (US) 2000-07-26 — — EP disclosed
US-5866702-A Purine inhibitors of cyclin dependent kinase 2 CV THERAPEUTICS, INCORPORATION (US) 1999-02-02 — — US disclosed
WO-1998005335-A9 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$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 (4 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH CDK2 1120/4885CCNE2 401/4885CCNE1 596/4885
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.

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