SCHEMBL3736702

SCHEMBL3736702

CN1CCCC1CCSc1ccc(N2C(=O)C(C)(C)[N+](Cc3ccncc3)(OC(=O)C(F)(F)F)C2=O)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.30
CHRNB2 P17787 2/20 0.30
CHRNA3 P32297 2/20 0.30
CHRNB3 Q05901 2/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNA6 Q15825 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
SCHEMBL3730717 0.85 MEN1 (0.32)
SCHEMBL3728011 0.85 SIGMAR1 (0.32)
SCHEMBL3723114 0.85 SIGMAR1 (0.36)
SCHEMBL2936439 0.83 IGF1R (0.32)
SCHEMBL2940400 0.82 IGF1R (0.35)
Trifluoroacetic Acid SCHEMBL3736700 0.79 IGF1R (0.46)
SCHEMBL2938209 0.76 IGF1R (0.46)
SCHEMBL4884670 0.75 IGF1R (0.34)
SCHEMBL3734617 0.73 IGF1R (0.37)
SCHEMBL4883977 0.73 NAMPT (0.37)

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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US 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 CHRM3 1255/4885CHRNB2 2156/4885CHRNA3 1728/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 CHRM3 4536/4885CHRNB2 4816/4885CHRNA3 4812/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA CHRM3 4524/4885CHRNB2 4783/4885CHRNA3 4753/4885

“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.