SCHEMBL2940074

SCHEMBL2940074

O=C(Nc1cnccc1CN1CC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
IGF1R P08069 7/20 0.38
NAMPT P43490 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
GSK3B P49841 3/20 0.33
GSK3A P49840 2/20 0.33
GAA P10253 1/20 0.33
ATR Q13535 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
MAPT P10636 2/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL2936810 0.91 IGF1R (0.39) IGF1RNAMPTGSK3BMAPT
SCHEMBL2938387 0.87 GSK3A (0.41) NAMPTGSK3BGSK3AKDM4C
SCHEMBL2940480 0.86 IGF1R (0.46) IGF1RGAA
SCHEMBL2939518 0.86 IGF1R (0.44) IGF1RATR
SCHEMBL2940347 0.86 IGF1R (0.39) IGF1RATR
SCHEMBL2938199 0.86 RXFP1 (0.39) RXFP1IGF1RNAMPTHDAC3HDAC1
SCHEMBL2942814 0.84 IGF1R (0.39) RXFP1IGF1RHDAC3HDAC1HDAC2
SCHEMBL2939633 0.83 KCNK2 (0.42) IGF1RNAMPTATRKDM4C
SCHEMBL2939636 0.83 IGF1R (0.45) IGF1R
SCHEMBL2939784 0.83 IGF1R (0.44) RXFP1IGF1R

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 RXFP1 2972/4885IGF1R 1595/4885NAMPT 1562/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA RXFP1 2467/4885IGF1R 962/4885NAMPT 1795/4885

“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.