SCHEMBL1927191

SCHEMBL1927191

Cc1cc(N)cc2cc(Br)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.40
KMT2A Q03164 3/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
UHRF1 Q96T88 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RPS6KA3 P51812 2/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NQO2 P16083 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 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
SCHEMBL1359031 0.81 KMT2A (0.47) DYRK1AKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL31716007 0.81 CCR1 (0.42) DYRK1AKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL1928507 0.78 DYRK1A (0.40) DYRK1AKMT2AHTTALDH1A1MEN1
SCHEMBL1361039 0.78 DYRK1A (0.40) DYRK1AKMT2AHTTALDH1A1MEN1
SCHEMBL31378854 0.78 DYRK1A (0.40) DYRK1AKMT2AHTTALDH1A1MEN1
SCHEMBL3114113 0.78 RPS6KA3 (0.37) ALDH1A1UHRF1KDM4ERPS6KA3MBOAT4
SCHEMBL534655 0.78 HTT (0.40) DYRK1AKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3351306 0.74 LMNA (0.50) DYRK1AKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL31716595 0.73 SMN1; SMN2 (0.38) DYRK1AKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL24848530 0.73 PRMT5 (0.53) DYRK1AKMT2AHTTSMN1; SMN2ALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440595-B2 Fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-05-14 US disclosed
EP-2185519-B1 NOVEL FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-08-10 EP disclosed
US-7956188-B2 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2011-06-07 US disclosed
US-20100286199-A1 NOVEL FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-11 US disclosed
EP-2185519-A2 NOVEL FUNGICIDES Sygenta Participations AG. (CH) 2010-05-19 EP disclosed
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
CN-101668424-A Quinoline derivatives as fungicides SYNGENTA PARTICIPATIONS AG 2010-03-10 CN disclosed
EP-2139324-A1 QUINOLINE DERIVATIVES AS FUNGICIDES Syngeta Participations AG (CH) 2010-01-06 EP disclosed
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP disclosed
WO-2009049716-A2 NOVEL FUNGICIDES SYGENTA PARTICIPATIONS AG (CH) 2009-04-23 WO disclosed
WO-2008110355-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed
US-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2008-07-17 US disclosed
EP-1817309-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES Syngeta Participations AG (CH) 2007-08-15 EP disclosed
WO-2006058700-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 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 (3 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-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants NAT1, DPM1, AADAC DYRK1A 2692/4885KMT2A 66/4885HTT 4197/4885
US-20100286199-A1 NOVEL FUNGICIDES CYP51A1, CYP4X1, CYP1B1 DYRK1A 4038/4885KMT2A 2461/4885HTT 3376/4885
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP4X1, CYP3A7 DYRK1A 3301/4885KMT2A 1704/4885HTT 3579/4885

“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.