SCHEMBL3549674

SCHEMBL3549674

Cc1ncc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)n1C1CCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.69
JAK2 O60674 10/20 0.57
CDK4 P11802 6/20 0.57
CDK1 P06493 4/20 0.57
CCNB2 O95067 2/20 0.57
CCNB1 P14635 2/20 0.57
CCND1 P24385 2/20 0.57
CCND2 P30279 2/20 0.57
CCND3 P30281 2/20 0.57
CCNB3 Q8WWL7 2/20 0.57
AURKA O14965 4/20 0.56
AURKB Q96GD4 4/20 0.56
JAK3 P52333 4/20 0.55
CDK9 P50750 3/20 0.55
CCNE1 P24864 2/20 0.55
KDR P35968 2/20 0.55
PTK2 Q05397 2/20 0.55
CDC7 O00311 1/20 0.55
PLK4 O00444 1/20 0.55
CIT O14578 1/20 0.55

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
SCHEMBL3547575 0.87 KCNH2 (0.73) CDK2JAK2CDK4CDK1CCNB1
SCHEMBL1447630 0.85 CDK2 (0.69) CDK2JAK2CDK1PLK4KCNH2
SCHEMBL4030132 0.83 CDK2 (0.68) CDK2CDK4CDK1CCNB1CCND1
SCHEMBL3554221 0.83 CDK2 (0.70) CDK2JAK2CDK4CDK1CCNB2
SCHEMBL3551055 0.82 CDK2 (1.00) CDK2JAK2CDK4CDK1CCNB1
SCHEMBL3937072 0.82 JAK2 (0.57) CDK2JAK2CDK4AURKAAURKB
SCHEMBL4193367 0.81 CDK2 (0.71) CDK2CDK4CCND1CCND2CCND3
SCHEMBL1447357 0.81 CDK2 (0.60) CDK2CDK4CDK1CCNB1CDK9
SCHEMBL4251013 0.81 CDK2 (0.63) CDK2JAK2CDK4CDK1CCNB1
SCHEMBL4246230 0.80 CDK2 (0.57) CDK2CDK4CDK1CCNB1CCND1

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 2 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

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 84/4885JAK2 2635/4885CDK4 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.