SCHEMBL5578472

SCHEMBL5578472

COCCNCc1nc(-c2nn(C3CCCCO3)cc2NC(=O)c2c(F)cccc2F)[nH]c1-c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.34
TP53 P04637 3/20 0.34
ABL1 P00519 1/20 0.34
BRAF P15056 1/20 0.33
FGFR1 P11362 1/20 0.32
DDR2 Q16832 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
EGFR P00533 1/20 0.32
BTK Q06187 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL5578062 0.84 ABL1 (0.36) MAPTTP53ABL1FGFR1DDR2
SCHEMBL5578219 0.83 ABL1 (0.35) MAPTTP53ABL1BRAFFGFR1
SCHEMBL5578323 0.80 MAPK14 (0.37) MAPTABL1CDK1CCNB1CCNA2
SCHEMBL14511697 0.79 MAPT (0.38) MAPTTP53CDK1CCNB1CCNA2
SCHEMBL8299912 0.77 CDK2 (0.34) ABL1BRAFCDK1CCNB1CCNA2
SCHEMBL5578211 0.76 ABL1 (0.34) ABL1BRAFFGFR1DDR2CDK1
SCHEMBL5578182 0.76 PARP1 (0.34) MAPTTP53ABL1BRAFCDK2
SCHEMBL5578320 0.75 ABL1 (0.37) MAPTABL1BRAFFGFR1DDR2
SCHEMBL5578221 0.75 BRAF (0.33) ABL1BRAFCDK1CCNB1CCNA2
SCHEMBL5578213 0.74 CCNA2 (0.34) MAPTTP53ABL1BRAFCDK1

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 MAPT 1133/4885TP53 359/4885ABL1 511/4885

“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.