SCHEMBL2944628

SCHEMBL2944628

COc1ccc(C(=O)Nc2cc(CN3CC(=O)N(c4ccc(OC(F)(F)F)cc4)C3=O)ccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
GCGR P47871 3/20 0.43
IGF1R P08069 3/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
XBP1 P17861 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
F2 P00734 1/20 0.40
HDAC1 Q13547 1/20 0.40
PPARG P37231 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL2938088 0.93 ACKR3 (0.44) NPC1RAB9APPARDPPARAGCGR
SCHEMBL2937368 0.93 GCGR (0.43) HDAC6NPC1RAB9APPARDPPARA
SCHEMBL2941540 0.92 PPARD (0.45) NPC1RAB9APPARDPPARAGCGR
SCHEMBL2941050 0.90 IGF1R (0.54) HDAC6NPC1RAB9AIGF1R
SCHEMBL2934573 0.89 HDAC6 (0.42) HDAC6NPC1RAB9APPARDPPARA
SCHEMBL2935705 0.88 IGF1R (0.50) PPARDPPARAGCGRIGF1RPPARG
SCHEMBL2934722 0.86 GRM5 (0.46) PPARDPPARAGCGR
SCHEMBL2943366 0.86 NR3C2 (0.45) PPARDPPARAGCGRIGF1RPPARG
SCHEMBL2937340 0.85 PPARD (0.40) NPC1RAB9APPARDPPARAIGF1R
SCHEMBL2939882 0.85 PPARD (0.45) NPC1RAB9APPARDPPARAGCGR

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 HDAC6 1416/4885NPC1 2549/4885RAB9A 1706/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA HDAC6 1369/4885NPC1 2042/4885RAB9A 2275/4885

“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.