SCHEMBL3556925

SCHEMBL3556925

Cc1ncc(-c2nc(Nc3ccc(N4CCNCC4)cc3)ncc2Cl)n1C(C)C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.64
KCNH2 Q12809 6/20 0.64
CDK4 P11802 5/20 0.56
CCND1 P24385 5/20 0.56
CCNA2 P20248 2/20 0.56
CCND2 P30279 1/20 0.55
CCND3 P30281 1/20 0.55
STK17B O94768 1/20 0.52
STK17A Q9UEE5 1/20 0.52
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
BRD4 O60885 1/20 0.50
CDK1 P06493 3/20 0.48
CCNB1 P14635 2/20 0.48
CCNA1 P78396 1/20 0.48
CCNE1 P24864 1/20 0.48

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
Hydrochloric Acid SCHEMBL3551779 0.88 CDK2 (0.79) CDK2KCNH2CDK4CCND1CCNA2
SCHEMBL3550603 0.85 CDK2 (0.67) CDK2KCNH2CDK1
SCHEMBL3555223 0.85 KCNH2 (0.72) CDK2KCNH2CDK4CCND1CCNA2
SCHEMBL3555005 0.83 CDK2 (0.64) CDK2KCNH2CCNA2CCND3CDK1
SCHEMBL3555092 0.83 CDK2 (0.81) CDK2KCNH2CDK1
SCHEMBL3548674 0.82 CDK2 (0.80) CDK2KCNH2CDK4CCND1CCNA2
Hydrochloric Acid SCHEMBL3551425 0.80 CDK2 (0.60) CDK2KCNH2CDK4CCNA2CDK1
SCHEMBL3554933 0.80 CDK2 (0.69) CDK2KCNH2CDK1
SCHEMBL5380216 0.78 CDK2 (0.72) CDK2KCNH2CDK4CCND1CCNA2
SCHEMBL3548395 0.78 CDK2 (1.00) CDK2KCNH2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (1 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-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI CDK2 84/4885KCNH2 4616/4885CDK4 57/4885

“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.