SCHEMBL2939783

SCHEMBL2939783

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.37
HTR2C P28335 5/20 0.35
HTR2A P28223 4/20 0.35
HTR2B P41595 4/20 0.35
MCHR1 Q99705 3/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
TAS2R8 Q9NYW2 1/20 0.34
KCNH2 Q12809 1/20 0.33
NTRK1 P04629 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL2939830 0.87 KCNH2 (0.41) HTR2CHTR2AHTR2BMCHR1CHRNB2
SCHEMBL2935167 0.86 IGF1R (0.43) IGF1RTAS2R8NTRK1
SCHEMBL2939819 0.86 IGF1R (0.37) IGF1RHTR2CHTR2AHTR2BMCHR1
SCHEMBL2939138 0.84 IGF1R (0.44) IGF1RTAS2R8NTRK1
SCHEMBL2938429 0.83 IGF1R (0.40) IGF1RTAS2R8
SCHEMBL2931325 0.83 IGF1R (0.58) IGF1R
SCHEMBL2943449 0.83 IGF1R (0.41) IGF1RHTR2CHTR2AHTR2BMCHR1
SCHEMBL3733914 0.83 IGF1R (0.45) IGF1RNTRK1
SCHEMBL2938965 0.81 IGF1R (0.39) IGF1RTAS2R8NTRK1
SCHEMBL2938307 0.81 IGF1R (0.41) IGF1RTAS2R8NTRK1

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 IGF1R 1595/4885HTR2C 4761/4885HTR2A 4821/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885HTR2C 4755/4885HTR2A 4834/4885

“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.