SCHEMBL3551552

SCHEMBL3551552

CC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc(C)n4C(C)C)n3)cc2F)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.67
CDK4 P11802 2/20 0.66
CDKL1 Q00532 1/20 0.66
CDK2 P24941 16/20 0.65
CDK1 P06493 7/20 0.62
CCNT1 O60563 1/20 0.54
CCNB1 P14635 1/20 0.54
CSNK2A2 P19784 1/20 0.54
CCNA2 P20248 1/20 0.54
CCND1 P24385 1/20 0.54
CCNE1 P24864 1/20 0.54
CCND3 P30281 1/20 0.54
MAPK8 P45983 1/20 0.54
MAPK9 P45984 1/20 0.54
CSNK1A1 P48729 1/20 0.54
CSNK1D P48730 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
CDK7 P50613 1/20 0.54
CDK9 P50750 1/20 0.54

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
SCHEMBL3552669 0.93 CDK2 (0.66) KCNH2CDK4CDKL1CDK2CDK1
SCHEMBL3551012 0.92 CDK2 (0.64) KCNH2CDK4CDKL1CDK2CDK1
SCHEMBL3552047 0.87 CDK2 (0.67) KCNH2CDK2CDK1
SCHEMBL3549598 0.87 CDK2 (0.83) KCNH2CDK4CDK2CDK1CCNT1
SCHEMBL1448454 0.86 CDK2 (0.73) KCNH2CDK4CDKL1CDK2CDK1
SCHEMBL3547318 0.86 CDK2 (0.76) KCNH2CDK4CDKL1CDK2CDK1
SCHEMBL3550098 0.83 CDK2 (0.66) KCNH2CDK2CDK1
SCHEMBL1447018 0.83 CDK2 (0.76) KCNH2CDK4CDKL1CDK2CDK1
SCHEMBL1447609 0.82 CDK2 (0.75) KCNH2CDK4CDKL1CDK2CDK1
SCHEMBL3549180 0.82 CDK2 (0.64) KCNH2CDK2CDK1

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 claimed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US claimed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP claimed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO claimed

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 KCNH2 4616/4885CDK4 57/4885CDKL1 74/4885

“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.