SCHEMBL5578062

SCHEMBL5578062

O=Cc1nc(-c2nn(C3CCCCO3)cc2NC(=O)c2c(F)cccc2F)[nH]c1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
CDK2 P24941 5/20 0.34
CCNA2 P20248 4/20 0.34
CDK1 P06493 4/20 0.34
CCNB1 P14635 4/20 0.34
MAPT P10636 3/20 0.33
FGFR1 P11362 1/20 0.33
DDR2 Q16832 1/20 0.33
PTGES O14684 2/20 0.33
GSK3B P49841 2/20 0.33
MAPK14 Q16539 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
CCNA1 P78396 1/20 0.32
PIM1 P11309 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
MCL1 Q07820 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CD274 Q9NZQ7 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
SCHEMBL5578323 0.85 MAPK14 (0.37) ABL1CDK2CCNA2CDK1CCNB1
SCHEMBL5578213 0.85 CCNA2 (0.34) ABL1CDK2CCNA2CDK1CCNB1
SCHEMBL5578472 0.84 MAPT (0.34) ABL1CDK2CCNA2CDK1CCNB1
SCHEMBL5578219 0.84 ABL1 (0.35) ABL1CDK2CCNA2CDK1CCNB1
SCHEMBL1645038 0.81 CDK2 (0.40) ABL1CDK2CCNA2CDK1CCNB1
SCHEMBL5578320 0.79 ABL1 (0.37) ABL1CDK2CCNA2CDK1CCNB1
SCHEMBL5578182 0.77 PARP1 (0.34) ABL1CDK2MAPTIRAK4TP53
SCHEMBL5578211 0.75 ABL1 (0.34) ABL1CDK2CCNA2CDK1CCNB1
SCHEMBL14511713 0.74 CCNA2 (0.38) ABL1CDK2CCNA2MAPTFGFR1
SCHEMBL14511688 0.74 BRAF (0.32) ABL1CDK2CCNA2CDK1CCNB1

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
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 ABL1 511/4885CDK2 5/4885CCNA2 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.