SCHEMBL5578211

SCHEMBL5578211

CC(C)Cc1[nH]c(-c2nn(C3CCCCO3)cc2NC(=O)c2c(F)cccc2F)nc1CCO

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
BRAF P15056 1/20 0.34
CCNA2 P20248 4/20 0.33
CDK2 P24941 4/20 0.33
CDK1 P06493 3/20 0.33
CCNB1 P14635 3/20 0.33
KDM5B Q9UGL1 1/20 0.32
PTGES O14684 3/20 0.32
PIM1 P11309 1/20 0.31
CCNA1 P78396 1/20 0.31
BCL3 P20749 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FGFR1 P11362 1/20 0.30
DDR2 Q16832 1/20 0.30
HTR1F P30939 1/20 0.30

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
SCHEMBL5578221 0.90 BRAF (0.33) ABL1BRAFCCNA2CDK2CDK1
SCHEMBL5578360 0.87 BRAF (0.34) BRAF
SCHEMBL5578179 0.85 BRAF (0.34) BRAF
SCHEMBL8299912 0.79 CDK2 (0.34) ABL1BRAFCCNA2CDK2CDK1
SCHEMBL5578320 0.79 ABL1 (0.37) ABL1BRAFCCNA2CDK2CDK1
SCHEMBL5578323 0.78 MAPK14 (0.37) ABL1CCNA2CDK2CDK1CCNB1
SCHEMBL5578213 0.78 CCNA2 (0.34) ABL1BRAFCCNA2CDK2CDK1
SCHEMBL12446246 0.77 CDK2 (0.34) ABL1BRAFCCNA2CDK2CDK1
SCHEMBL14511688 0.77 BRAF (0.32) ABL1BRAFCCNA2CDK2CDK1
SCHEMBL3589567 0.77 CDK2 (0.40) ABL1CCNA2CDK2CDK1CCNB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
EP-1648449-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002576-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO 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-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 ABL1 511/4885BRAF 643/4885CCNA2 37/4885

“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.