SCHEMBL2939385

SCHEMBL2939385

O=C(Nc1cnccc1CN1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.43
LIPE Q05469 2/20 0.43
KDR P35968 2/20 0.40
FLT1 P17948 1/20 0.40
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
HSD17B13 Q7Z5P4 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CYP11B2 P19099 1/20 0.36
EPHX2 P34913 1/20 0.36
NR3C1 P04150 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
BRD4 O60885 1/20 0.35
ABL1 P00519 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL2941261 0.89 GSK3A (0.41) GSK3AGSK3BHSD17B13TRPV1ABL1
SCHEMBL2939148 0.87 IGF1R (0.37) KDRFLT1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2938400 0.87 LIPE (0.41) LIPEGSK3AGSK3BTRPV1ABL1
SCHEMBL2934142 0.87 PPARD (0.38) KDRFLT1GSK3AGSK3BTRPV1
SCHEMBL2938253 0.87 PPARD (0.40) KDRFLT1GSK3AGSK3BTRPV1
SCHEMBL2940274 0.87 RXFP1 (0.39) MAPTKDRFLT1POLBSMN1; SMN2
SCHEMBL2934116 0.86 LIPE (0.44) LIPEGSK3AGSK3BHSD17B13KMT2A
SCHEMBL2941399 0.85 GSK3A (0.37) MAPTLIPEKDRFLT1GSK3A
SCHEMBL2941043 0.85 NPC1 (0.48) KDRGSK3AGSK3BEPHX2
SCHEMBL2937930 0.85 GCGR (0.40) MAPTGSK3AGSK3BTRPV1ABL1

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-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US disclosed
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
US-7354933-B2 Protein kinase inhibitors; antitumor agents; such as 5-methyl-1-quinol-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate AVENTIS PHARMA SA (FR) 2008-04-08 US disclosed
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-09 US 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 (2 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-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 TDP1 1345/4885MAPT 1554/4885LIPE 2214/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA TDP1 1247/4885MAPT 2136/4885LIPE 3248/4885

“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.