SCHEMBL3555005

SCHEMBL3555005

Cc1ncc(-c2nc(Nc3ccc(N4CCN(C(=O)C(C)(C)O)CC4)cc3)ncc2Cl)n1C(C)C

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.64
KCNH2 Q12809 7/20 0.64
CDK1 P06493 5/20 0.53
ALK Q9UM73 1/20 0.52
CCNK O75909 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND3 P30281 1/20 0.48
CDK9 P50750 1/20 0.48
CDK6 Q00534 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
SCHEMBL3550603 0.91 CDK2 (0.67) CDK2KCNH2CDK1ALK
SCHEMBL3555092 0.88 CDK2 (0.81) CDK2KCNH2CDK1ALK
SCHEMBL3554933 0.85 CDK2 (0.69) CDK2KCNH2CDK1ALK
SCHEMBL3555223 0.83 KCNH2 (0.72) CDK2KCNH2CDK1ALKCCNA2
SCHEMBL3556925 0.83 CDK2 (0.64) CDK2KCNH2CDK1CCNA2CCND3
SCHEMBL3546638 0.80 CDK2 (0.82) CDK2KCNH2CDK1
SCHEMBL1448763 0.80 CDK2 (0.81) CDK2KCNH2CDK1
SCHEMBL3548645 0.79 CDK2 (0.80) CDK2KCNH2CDK1
SCHEMBL5239921 0.79 CDK2 (0.80) CDK2KCNH2CDK1
SCHEMBL3553510 0.79 CDK2 (0.80) 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 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 84/4885KCNH2 4616/4885CDK1 31/4885

“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.