SCHEMBL5578455

SCHEMBL5578455

O=C(Nc1c[nH]nc1-c1nc(CO)c(Cc2ccccc2)[nH]1)c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.37
CDK1 P06493 2/20 0.37
DYRK3 O43781 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
NTRK1 P04629 1/20 0.37
PRKCG P05129 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
FES P07332 1/20 0.37
CSF1R P07333 1/20 0.37
LYN P07948 1/20 0.37
ROS1 P08922 1/20 0.37
KIT P10721 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
FER P16591 1/20 0.37

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
SCHEMBL5578321 0.88 ALDH1A1 (0.36) CDK2CDK1DYRK3PRKD3MAP4K4
SCHEMBL5578093 0.84 BCL3 (0.47) CDK2CDK1FLT3AURKBMEN1
SCHEMBL5578184 0.79 MEN1 (0.36) CDK2CDK1DYRK3PRKD3MAP4K4
SCHEMBL5578102 0.79 MAPT (0.40) CDK2CDK1DYRK3PRKD3MAP4K4
SCHEMBL1645490 0.77 MAPT (0.41) CDK2CDK1DYRK3PRKD3MAP4K4
SCHEMBL1647467 0.77 MAPT (0.46) CDK2CDK1DYRK3PRKD3MAP4K4
SCHEMBL5578169 0.77 KMT2A (0.46) CDK2CDK1DYRK3PRKD3MAP4K4
SCHEMBL5578095 0.77 MAPT (0.40) CDK2CDK1DYRK3PRKD3MAP4K4
SCHEMBL1646494 0.77 MAPT (0.60) CDK2CDK1AURKBMEN1KMT2A
SCHEMBL14511673 0.77 LMNA (0.41) CDK2CDK1MEN1KMT2ARAB9A

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 CDK2 5/4885CDK1 3/4885DYRK3 2298/4885

“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.