SCHEMBL3544746

SCHEMBL3544746

Cc1ncc(-c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2F)n1C(C)C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.64
KCNH2 Q12809 8/20 0.64
CDK4 P11802 6/20 0.61
CSF1R P07333 5/20 0.61
CDK6 Q00534 5/20 0.61
CCNE1 P24864 2/20 0.61
PIK3CD O00329 1/20 0.61
CCNA2 P20248 1/20 0.61
CDK1 P06493 4/20 0.59
CCNB1 P14635 1/20 0.55
CCND1 P24385 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
SCHEMBL3551853 0.95 CDK2 (0.63) CDK2KCNH2CDK4CSF1RCDK6
Hydrochloric Acid SCHEMBL3551425 0.93 CDK2 (0.60) CDK2KCNH2CDK4CSF1RCDK6
SCHEMBL3553588 0.89 CDK2 (0.81) CDK2KCNH2CDK4CSF1RCDK6
Hydrochloric Acid SCHEMBL3551779 0.88 CDK2 (0.79) CDK2KCNH2CDK4CDK6CCNA2
SCHEMBL3552047 0.86 CDK2 (0.67) CDK2KCNH2CDK1
SCHEMBL3546255 0.83 CDK2 (0.77) CDK2KCNH2CDK4CSF1RCDK6
SCHEMBL3550098 0.81 CDK2 (0.66) CDK2KCNH2CDK1
SCHEMBL3558676 0.80 CDK2 (0.64) CDK2KCNH2CDK1
SCHEMBL3549180 0.80 CDK2 (0.64) CDK2KCNH2CDK1
SCHEMBL27369663 0.80 CDK2 (0.75) 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 4616/4885CDK4 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.