SCHEMBL4884585

SCHEMBL4884585

CC1(C)C(=O)N(c2ccc(Nc3ccccc3)cc2)C(=O)[N+]1(Cc1ccncc1)OC(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.36
HTT P42858 1/20 0.34
NAMPT P43490 5/20 0.33
HSP90AA1 P07900 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ELANE P08246 2/20 0.32
CYP26A1 O43174 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
THPO P40225 1/20 0.32
BUB1 O43683 1/20 0.32
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4890256 0.87 NAMPT (0.40) IGF1RNAMPTALDH1A1CYP3A4CYP2C9
SCHEMBL3727464 0.84 IGF1R (0.41) IGF1RCYP3A4CYP2C9CYP2C19GAA
SCHEMBL4884670 0.83 IGF1R (0.34) IGF1RHSP90AA1ALDH1A1CYP3A4CYP2C9
SCHEMBL4879679 0.83 NR1H2 (0.36) IGF1RHTTALDH1A1CYP3A4CYP2C9
SCHEMBL4884428 0.82 IGF1R (0.33) IGF1RCYP3A4CYP2C9CYP2C19GAA
SCHEMBL4885935 0.82 IGF1R (0.39) IGF1RHTTALDH1A1CYP3A4CYP2C9
SCHEMBL3737891 0.82 IGF1R (0.39) IGF1RCYP3A4CYP2C9CYP2C19GAA
SCHEMBL5484507 0.80 FLT1 (0.36) ALDH1A1
SCHEMBL4882154 0.80 IGF1R (0.32) IGF1R
SCHEMBL4883977 0.80 NAMPT (0.37) NAMPTMEN1KMT2A

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-20080021029-A1 Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-01-24 US disclosed
EP-1621535-A1 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-20080021029-A1 Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors PRKAR2B, PRKG2, PRKG1 IGF1R 878/4885HTT 4402/4885NAMPT 2443/4885

“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.