SCHEMBL2939830

SCHEMBL2939830

O=C1CN(Cc2ccncc2OCCN2CCCC2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
ABL1 P00519 2/20 0.41
MCHR1 Q99705 4/20 0.37
LTA4H P09960 7/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
NTRK1 P04629 1/20 0.36
PTGS2 P35354 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KCNA5 P22460 1/20 0.35
ESR1 P03372 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL2939783 0.87 IGF1R (0.37) KCNH2MCHR1CHRNB2CHRNA4NTRK1
SCHEMBL2939819 0.86 IGF1R (0.37) KCNH2MCHR1LTA4HCHRNB2CHRNA4
SCHEMBL2941640 0.86 HCRTR1 (0.38)
SCHEMBL2941037 0.84 TAS2R8 (0.41)
SCHEMBL2938139 0.82 ENPP2 (0.39) NTRK1
SCHEMBL2941134 0.82 IGF1R (0.41) KCNH2ABL1MCHR1LTA4HCHRNB2
SCHEMBL2931969 0.82 KCNH2 (0.40) KCNH2ABL1MCHR1LTA4HCHRNB2
SCHEMBL2940721 0.82 IGF1R (0.42) KCNH2ABL1
SCHEMBL2939828 0.82 TAS2R8 (0.35) MCHR1
SCHEMBL2938241 0.81 PPARD (0.35) MCHR1HRH3

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 KCNH2 3514/4885ABL1 776/4885MCHR1 4505/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA KCNH2 3329/4885ABL1 683/4885MCHR1 4236/4885

“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.