SCHEMBL5578327

SCHEMBL5578327

Cc1nc(-c2nn(C3CCCCO3)cc2NC(=O)c2c(F)cccc2F)n(O)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
FGFR1 P11362 1/20 0.35
DDR2 Q16832 1/20 0.35
CDK1 P06493 3/20 0.34
CCNB1 P14635 3/20 0.34
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
PIM1 P11309 1/20 0.34
CRACR2A Q9BSW2 3/20 0.33
IRAK4 Q9NWZ3 7/20 0.33
PTGES O14684 1/20 0.33
BRAF P15056 1/20 0.32
CCNA1 P78396 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5578081 0.88 ABL1 (0.35) ABL1FGFR1DDR2CDK1CCNB1
SCHEMBL14511704 0.86 CNR1 (0.37) ABL1CRACR2AIRAK4GAAMEN1
SCHEMBL5578320 0.80 ABL1 (0.37) ABL1FGFR1DDR2CDK1CCNB1
SCHEMBL3579675 0.77 CDK2 (0.40) ABL1CDK1CCNB1CCNA2CDK2
SCHEMBL14511713 0.76 CCNA2 (0.38) ABL1FGFR1DDR2CCNA2CDK2
SCHEMBL8273357 0.76 CCNA2 (0.39) ABL1CDK1CCNB1CCNA2CDK2
SCHEMBL3583086 0.76 CDK2 (0.39) ABL1CDK1CCNB1CCNA2CDK2
SCHEMBL1645038 0.75 CDK2 (0.40) ABL1CDK1CCNB1CCNA2CDK2
SCHEMBL3589567 0.75 CDK2 (0.40) ABL1CDK1CCNB1CCNA2CDK2
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 5 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
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 511/4885FGFR1 890/4885DDR2 2442/4885

“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.