SCHEMBL2937810

SCHEMBL2937810

CN1CCC(C(=O)Nc2cc(CN3CC(=O)N(c4ccc(OC(F)(F)F)cc4)C3=O)ccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.44
BRAF P15056 6/20 0.44
ALK Q9UM73 5/20 0.42
ROS1 P08922 3/20 0.42
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IGF1R P08069 2/20 0.41
PIK3C3 Q8NEB9 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC5A1 P13866 1/20 0.40

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
SCHEMBL2938258 0.92 KDR (0.42) KDRBRAFALKROS1PPARD
SCHEMBL2935705 0.87 IGF1R (0.50) BRAFPPARDPPARAIGF1RSLC5A1
SCHEMBL3738030 0.87 KMT2A (0.51) KDRBRAFPPARDPPARAGSK3B
SCHEMBL2942028 0.87 IGF1R (0.55) KDRBRAFIGF1R
SCHEMBL2938661 0.86 EPHX2 (0.41) KDRBRAFPPARDPPARAIGF1R
SCHEMBL2943366 0.86 NR3C2 (0.45) PPARDPPARAIGF1R
SCHEMBL2941660 0.85 IGF1R (0.59) ALKROS1IGF1R
SCHEMBL2939126 0.85 ALK (0.43) KDRBRAFALKROS1GSK3A
SCHEMBL3732843 0.85 IGF1R (0.46) BRAFPPARDPPARAIGF1RSLC5A1
SCHEMBL2939882 0.84 PPARD (0.45) BRAFPPARDPPARAIGF1RMAPT

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 7 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
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP 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
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO 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 KDR 2201/4885BRAF 43/4885ALK 1863/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA KDR 2403/4885BRAF 58/4885ALK 1766/4885

“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.