SCHEMBL3619967

SCHEMBL3619967

Cc1ncc(-c2nc(Nc3ccc(N4CCCC4C(=O)NC4CC4)cc3)ncc2F)n1C(C)C

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.79
CDK1 P06493 7/20 0.66
KCNH2 Q12809 9/20 0.60

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
SCHEMBL3619963 1.00 CDK2 (0.79) CDK2CDK1KCNH2
SCHEMBL3549352 0.92 CDK2 (0.81) CDK2CDK1KCNH2
SCHEMBL3553600 0.88 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL3552524 0.86 CDK2 (0.69) CDK2CDK1KCNH2
SCHEMBL4248462 0.80 CDK2 (0.72) CDK2CDK1KCNH2
SCHEMBL4513970 0.80 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL3544541 0.79 CDK2 (0.88) CDK2CDK1KCNH2
SCHEMBL3552191 0.79 CDK2 (0.88) CDK2CDK1KCNH2
SCHEMBL3561675 0.79 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL3557201 0.78 CDK2 (0.74) CDK2CDK1KCNH2

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 84/4885CDK1 31/4885KCNH2 4616/4885

“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.