SCHEMBL5478685

SCHEMBL5478685

CC1(C)C(=O)N(c2nnc(N3CCOCC3)[nH]2)C(=O)[N+]1(Cc1ccncc1)OC(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PIK3CA P42336 3/20 0.31
PDE2A O00408 1/20 0.31
MTOR P42345 2/20 0.31
GSK3B P49841 1/20 0.31
ABCB1 P08183 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
MCHR1 Q99705 1/20 0.30
NAMPT P43490 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
SCHEMBL5472331 0.86 PRKDC (0.34) KDM4EMAPTALOX12HTTPIK3CA
SCHEMBL4887651 0.82 HTT (0.40) HTTMTORGSK3B
SCHEMBL4884670 0.79 IGF1R (0.34)
SCHEMBL3723114 0.74 SIGMAR1 (0.36) KDM4EHTTNAMPT
Trifluoroacetic Acid SCHEMBL5478679 0.73 IGF1R (0.46) L3MBTL1
SCHEMBL4879679 0.72 NR1H2 (0.36) MAPTHTT
SCHEMBL4884428 0.72 IGF1R (0.33)
SCHEMBL4885935 0.72 IGF1R (0.39) HTT
SCHEMBL4890256 0.71 NAMPT (0.40) NAMPT
SCHEMBL5472863 0.71 EGLN1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
EP-1621539-A1 Heterocycle -substituted cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors Aventis Pharma S.A. (FR) 2006-02-01 EP 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-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors CDK1, PRKAR2B, MAP3K19 KDM4E 1363/4885MAPT 2911/4885ALOX12 4417/4885

“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.