SCHEMBL2940053

SCHEMBL2940053

O=C1CN(C(OCCN2CCCC2)c2ccncc2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.40
MCHR1 Q99705 3/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
HRH3 Q9Y5N1 3/20 0.35
ABL1 P00519 1/20 0.34
MAPK14 Q16539 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNA5 P22460 2/20 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
SCHEMBL2933538 0.86 IGF1R (0.39) LTA4HMCHR1KCNH2HRH3
SCHEMBL2932324 0.86 LMNA (0.38) LTA4HMCHR1KCNH2HRH3
SCHEMBL2938065 0.82 LTA4H (0.39) LTA4HMCHR1KCNH2SLC6A4SLC6A3
SCHEMBL2934005 0.81 LTA4H (0.38) LTA4HMCHR1KCNH2SLC6A4SLC6A3
SCHEMBL6173992 0.76 CCR6 (0.40) MCHR1ABL1
SCHEMBL2939830 0.73 KCNH2 (0.41) LTA4HMCHR1KCNH2HRH3ABL1
SCHEMBL2940231 0.72 KMT2A (0.48) SLC6A4KCNA5
SCHEMBL4856947 0.70 TLR7 (0.47) LTA4HMCHR1KCNH2SLC6A4SLC6A3
SCHEMBL2932740 0.70 CACNA1G (0.41) LTA4H
SCHEMBL2939864 0.69 IGF1R (0.52) LTA4H

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 LTA4H 4311/4885MCHR1 4505/4885KCNH2 3514/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA LTA4H 3825/4885MCHR1 4236/4885KCNH2 3329/4885

“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.