SCHEMBL535151

SCHEMBL535151

Oc1ccc2ncc(I)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
CDK8 P49336 1/20 0.46
CLK2 P49760 1/20 0.46
CDK7 P50613 1/20 0.46
CDK9 P50750 1/20 0.46
CDK5 Q00535 1/20 0.46
ACVR1 Q04771 1/20 0.46
ROCK1 Q13464 1/20 0.46
DYRK1A Q13627 1/20 0.46
LRRK2 Q5S007 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
ESR2 Q92731 4/20 0.42
ESR1 P03372 3/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
PDE10A Q9Y233 5/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL2224981 0.84 MAP4K4 (0.54) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL18848508 0.83 NOS1 (0.42) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL16962242 0.76 ALDH1A1 (0.50) PDGFRBPDGFRAPDE3BPDE3AALDH1A1
SCHEMBL534471 0.76 DYRK1A (0.46) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL1359776 0.76 MAP4K4 (0.46) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL16289378 0.76 MAP4K4 (0.46) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL1360422 0.76 MAP4K4 (0.46) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL5537413 0.76 CYP1A2 (0.57) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL15043760 0.76 ADORA3 (0.39) DYRK1APDGFRBPDGFRAPDE3BPDE3A
SCHEMBL31419066 0.76 BACE1 (0.41) DYRK1AALDH1A1MEN1KMT2AKDM4E

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507509-B2 Saturated and insaturated bi- or tricyclic aryloxyacetamine derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-08-13 US disclosed
CN-101815703-B Novel fungicides DEERE & CO 2013-07-24 CN disclosed
CN-103183637-A Quinoline derivatives and use thereof as fungicides SYNGENTA CROP PROT INC 2013-07-03 CN disclosed
US-8440595-B2 Fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-05-14 US disclosed
CN-101827817-B Saturated and insaturated bi- or tricyclic aryloxyacetamide derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC 2013-05-08 CN disclosed
US-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
EP-2571851-A1 NOVEL AMIDES AS FUNGICIDES Syngenta Participations AG (CH) 2013-03-27 EP disclosed
US-20130065922-A1 NOVEL AMIDES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-14 US disclosed
US-20130065922-A1 NOVEL AMIDES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-14 US disclosed
US-20130065922-A1 NOVEL AMIDES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-14 US disclosed
WO-2009087098-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 WO disclosed
EP-2068632-A1 FUNGICIDES Syngeta Participations AG (CH) 2009-06-17 EP disclosed
WO-2009049716-A2 NOVEL FUNGICIDES SYGENTA PARTICIPATIONS AG (CH) 2009-04-23 WO disclosed
WO-2009030467-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG, (CH) 2009-03-12 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
WO-2008028624-A1 FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-03-13 WO disclosed
CN-101115748-A Acetamide compounds as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2008-01-30 CN 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 (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-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 MAP4K4 2387/4885CDK8 1820/4885CLK2 3143/4885
US-20130065922-A1 NOVEL AMIDES AS FUNGICIDES CYP51A1, DDT, CYP4X1 MAP4K4 2993/4885CDK8 2136/4885CLK2 4805/4885

“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.