SCHEMBL4879679

SCHEMBL4879679

CCN(CC)c1ccc(N2C(=O)C(C)(C)[N+](Cc3ccncc3)(OC(=O)C(F)(F)F)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
IGF1R P08069 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.31
TRIP13 Q15645 1/20 0.31
MAPT P10636 3/20 0.30
SMN1; SMN2 Q16637 3/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP2C9 P11712 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 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
SCHEMBL4882154 0.90 IGF1R (0.32) IGF1R
SCHEMBL3727464 0.85 IGF1R (0.41) IGF1RGAARAB9ATRIP13SMN1; SMN2
SCHEMBL4884428 0.85 IGF1R (0.33) IGF1RGAAKMT2ATRIP13SMN1; SMN2
SCHEMBL4884670 0.84 IGF1R (0.34) IGF1RMEN1KMT2ATRIP13CYP1A2
SCHEMBL4884585 0.83 IGF1R (0.36) IGF1RGAAMEN1KMT2ASMN1; SMN2
SCHEMBL3737891 0.83 IGF1R (0.39) IGF1RGAAPOLBTRIP13CYP3A4
SCHEMBL4885935 0.83 IGF1R (0.39) IGF1RTRIP13CYP1A2CYP3A4CYP2C19
SCHEMBL4890256 0.82 NAMPT (0.40) IGF1RCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL3734617 0.80 IGF1R (0.37) IGF1RGAACYP3A4CYP2C19CYP2C9
SCHEMBL4888699 0.80 MAPT (0.34) IGF1RMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 NR1H2 3943/4885NR1H3 3880/4885IGF1R 878/4885

“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.