SCHEMBL2938795

SCHEMBL2938795

O=C(Nc1cc(CN2CC(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2=O)ccn1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
HTR1F P30939 1/20 0.38
IGF1R P08069 5/20 0.38
AR P10275 1/20 0.37
POLB P06746 1/20 0.36
HDAC1 Q13547 1/20 0.36
NR3C2 P08235 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK14 Q16539 1/20 0.35
PPARG P37231 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2940685 0.93 NPC1 (0.42) ACKR3RAB9ANPC1PPARDPPARA
SCHEMBL2935703 0.93 RAB9A (0.41) RAB9ANPC1PPARDPPARAIGF1R
SCHEMBL2934573 0.91 HDAC6 (0.42) RAB9ANPC1PPARDPPARAIGF1R
SCHEMBL2938306 0.87 GRM5 (0.44) ACKR3RAB9ANPC1PPARDPPARA
SCHEMBL2938394 0.87 NR3C2 (0.45) PPARDPPARAIGF1RNR3C2
SCHEMBL2938006 0.87 IGF1R (0.49) RAB9ANPC1PPARDPPARAIGF1R
SCHEMBL2940329 0.86 RAB9A (0.39) RAB9ANPC1PPARDPPARAIGF1R
SCHEMBL2941112 0.86 IGF1R (0.53) ACKR3RAB9ANPC1IGF1R
SCHEMBL2938088 0.86 ACKR3 (0.44) ACKR3RAB9ANPC1PPARDPPARA
SCHEMBL2938895 0.85 IGF1R (0.38) PPARDPPARAIGF1RPOLBALDH1A1

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 ACKR3 3146/4885RAB9A 1706/4885NPC1 2549/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA ACKR3 1964/4885RAB9A 2275/4885NPC1 2042/4885

“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.