SCHEMBL3729237

SCHEMBL3729237

CN1CCN(CCCSc2ccc(N3C(=O)C(C)(C)[N+](Cc4ccncc4)(OC(=O)C(F)(F)F)C3=O)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.36
DRD3 P35462 6/20 0.36
HTR1A P08908 5/20 0.36
HTR2A P28223 5/20 0.36
IGF1R P08069 3/20 0.36
DRD1 P21728 3/20 0.32
DRD5 P21918 3/20 0.32
HRH1 P35367 2/20 0.32
ADRA2C P18825 1/20 0.32
HTR7 P34969 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 1/20 0.31
NAMPT P43490 1/20 0.30
AURKA O14965 1/20 0.30
RPS6KB1 P23443 1/20 0.30
AURKB Q96GD4 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
HTR2C P28335 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
SCHEMBL3728011 0.89 SIGMAR1 (0.32) IGF1RSIGMAR1
SCHEMBL3734617 0.87 IGF1R (0.37) IGF1RKDM4EALDH1A1NAMPT
SCHEMBL3727464 0.83 IGF1R (0.41) IGF1R
SCHEMBL3737891 0.81 IGF1R (0.39) IGF1R
SCHEMBL4885935 0.81 IGF1R (0.39) IGF1RALDH1A1
SCHEMBL4884670 0.80 IGF1R (0.34) IGF1RALDH1A1TDP1
SCHEMBL3723114 0.77 SIGMAR1 (0.36) KDM4EALDH1A1THRBNAMPTSIGMAR1
SCHEMBL3730717 0.77 MEN1 (0.32) IGF1R
SCHEMBL4879679 0.76 NR1H2 (0.36) IGF1RALDH1A1
SCHEMBL4884585 0.76 IGF1R (0.36) IGF1RALDH1A1NAMPT

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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US disclosed
EP-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
WO-2016036796-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2016-03-10 WO disclosed
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
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 (3 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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS NGF, NTRK1, TK1 DRD2 4772/4885DRD3 4681/4885HTR1A 2536/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 DRD2 4845/4885DRD3 4840/4885HTR1A 4613/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA DRD2 4767/4885DRD3 4721/4885HTR1A 4386/4885

“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.