SCHEMBL2940685

SCHEMBL2940685

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ACKR3 P25106 2/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
IGF1R P08069 2/20 0.38
F10 P00742 2/20 0.37
PPARG P37231 1/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CMA1 P23946 1/20 0.35
ENPP2 Q13822 1/20 0.35
ORAI1 Q96D31 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
SCHEMBL2938795 0.93 ACKR3 (0.43) NPC1RAB9AACKR3HDAC1SMN1; SMN2
SCHEMBL2935703 0.93 RAB9A (0.41) NPC1RAB9AHDAC6PPARDPPARA
SCHEMBL2938306 0.92 GRM5 (0.44) NPC1RAB9AACKR3SMN1; SMN2PPARD
SCHEMBL2934573 0.91 HDAC6 (0.42) NPC1RAB9AHDAC6HDAC1SMN1; SMN2
SCHEMBL2938895 0.88 IGF1R (0.38) SMN1; SMN2MEN1KMT2APPARDPPARA
SCHEMBL2933470 0.87 IGF1R (0.39) MEN1KMT2APPARDPPARAIGF1R
SCHEMBL2938394 0.87 NR3C2 (0.45) PPARDPPARAIGF1R
SCHEMBL2938006 0.87 IGF1R (0.49) NPC1RAB9AMEN1KMT2APPARD
SCHEMBL2940329 0.86 RAB9A (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2941274 0.86 IGF1R (0.53) NPC1RAB9AACKR3HDAC6HDAC1

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

“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.