SCHEMBL5578221

SCHEMBL5578221

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.33
ABL1 P00519 1/20 0.31
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
PTGES O14684 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL5578211 0.90 ABL1 (0.34) BRAFABL1CDK1CCNB1CCNA2
SCHEMBL5578360 0.85 BRAF (0.34) BRAF
SCHEMBL5578179 0.85 BRAF (0.34) BRAF
SCHEMBL5578320 0.78 ABL1 (0.37) BRAFABL1CDK1CCNB1CCNA2
SCHEMBL8299912 0.77 CDK2 (0.34) BRAFABL1CDK1CCNB1CCNA2
SCHEMBL1645164 0.75 ATR (0.38) BRAFABL1CDK1CCNB1CCNA2
SCHEMBL5578472 0.75 MAPT (0.34) BRAFABL1CDK1CCNB1CCNA2
SCHEMBL2382993 0.75 ATR (0.36) BRAFABL1CDK1CCNB1CCNA2
SCHEMBL14511688 0.75 BRAF (0.32) BRAFABL1CDK1CCNB1CCNA2
SCHEMBL5578323 0.74 MAPK14 (0.37) ABL1CDK1CCNB1CCNA2CDK2

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-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 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-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 BRAF 643/4885ABL1 511/4885CDK1 3/4885

“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.