SCHEMBL5472863

SCHEMBL5472863

CCCS(=O)(=O)c1ccc2[nH]c(N3C(=O)C(C)(C)[N+](Cc4ccncc4)(OC(=O)C(F)(F)F)C3=O)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.35
CYP1A2 P05177 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP3A4 P08684 2/20 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
Trifluoroacetic Acid SCHEMBL5472858 0.76 IGF1R (0.42) EGLN1
SCHEMBL4890256 0.73 NAMPT (0.40) CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5190849 0.72 IGF1R (0.41) CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5484507 0.72 FLT1 (0.36) EGLN1
SCHEMBL4879679 0.71 NR1H2 (0.36) CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5478685 0.71 KDM4E (0.32)
SCHEMBL4882154 0.70 IGF1R (0.32)
SCHEMBL3727464 0.69 IGF1R (0.41) CYP2C9CYP2C19CYP3A4
SCHEMBL4884428 0.69 IGF1R (0.33) CYP2C9CYP2C19CYP3A4
SCHEMBL4883977 0.69 NAMPT (0.37)

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 EGLN1 2335/4885CYP1A2 803/4885CYP2C9 708/4885

“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.