SCHEMBL5578468

SCHEMBL5578468

COc1cccc(F)c1C(=O)N(C)c1cn(C2CCCCO2)nc1-c1nc(C(F)(F)F)c(C)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 2/20 0.33
BRAF P15056 1/20 0.32
TP53 P04637 1/20 0.32
ABL1 P00519 1/20 0.32
GPBAR1 Q8TDU6 3/20 0.31
POLB P06746 1/20 0.31
EGFR P00533 1/20 0.30
BTK Q06187 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 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
SCHEMBL14511713 0.85 CCNA2 (0.38) PDE2AHCRTR1HCRTR2BRAFABL1
SCHEMBL14511710 0.73 ABL1 (0.40) ABL1
SCHEMBL5578471 0.72 KDM5B (0.34) ABL1
SCHEMBL5578291 0.70 ELANE (0.37) BRAFABL1
SCHEMBL5578320 0.66 ABL1 (0.37) BRAFABL1CDK1CDK2
SCHEMBL5578091 0.65 ABL1 (0.44) HCRTR1HCRTR2ABL1POLBCDK2
SCHEMBL5004379 0.65 POLB (0.35) BRAFGPBAR1POLB
SCHEMBL22235767 0.64 CLK2 (0.39)
SCHEMBL5578327 0.63 ABL1 (0.39) BRAFABL1CDK1CDK2
SCHEMBL5578323 0.63 MAPK14 (0.37) ABL1POLBCDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE2A 3427/4885HCRTR1 4712/4885HCRTR2 4501/4885

“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.