SCHEMBL2925237

SCHEMBL2925237

Cc1ncc(-c2nc(N)ncc2Cl)n1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.38
CDK2 P24941 14/20 0.36
PIK3CD O00329 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
JAK3 P52333 1/20 0.34
MAP3K14 Q99558 1/20 0.34
CDK1 P06493 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33

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
SCHEMBL4207771 0.85 CDK2 (0.37) KCNH2CDK2CDK1CCNT1CDK4
SCHEMBL273281 0.82 KCNH2 (0.54) KCNH2CDK2CDK1
SCHEMBL2921456 0.82 CDK5 (0.39) KCNH2CDK2PIK3CDJAK2JAK1
SCHEMBL6105695 0.80 MAP3K14 (0.35) CDK2MAP3K14GSK3B
SCHEMBL278830 0.72 CDK2 (0.56) KCNH2CDK2MAP3K14CDK1CCNT1
SCHEMBL4202745 0.71 MAPK8 (0.51) KCNH2CDK2CDK1CCNT1CDK4
SCHEMBL3226966 0.71 CDK2 (0.51) KCNH2CDK2CDK1
SCHEMBL25082233 0.70 CDK2 (0.34) KCNH2CDK2CDK1CCNT1CDK4
SCHEMBL273951 0.70 CDK2 (0.42) KCNH2CDK2CDK1CCNT1CDK4
SCHEMBL4495234 0.67 CCNE1 (0.61) CDK2CDK1CCNT1CDK4CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044058-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20100240686-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-23 US disclosed
US-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 US disclosed
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090233928-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-09-17 US disclosed
EP-2044058-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2009-04-08 EP disclosed
EP-2032559-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-11 EP disclosed
WO-2007148070-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-12-27 WO disclosed
EP-1869016-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2007138268-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 WO disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US disclosed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2006095159-A1 (IMIDAZOLO-5-YL)-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2006-09-14 WO disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 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-20090233928-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION MKI67, TYMP, PCNA KCNH2 4185/4885CDK2 23/4885PIK3CD 787/4885
US-20100240686-A1 CHEMICAL COMPOUNDS CCNI, CDKN1A, CCNB1 KCNH2 2925/4885CDK2 11/4885PIK3CD 1035/4885
US-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI KCNH2 4616/4885CDK2 84/4885PIK3CD 1845/4885
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 KCNH2 3454/4885CDK2 3/4885PIK3CD 533/4885

“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.