SCHEMBL534707

SCHEMBL534707

C#Cc1cnc2ccc(O)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.44
CDK8 P49336 1/20 0.44
CLK2 P49760 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CDK5 Q00535 1/20 0.44
ACVR1 Q04771 1/20 0.44
ROCK1 Q13464 1/20 0.44
DYRK1A Q13627 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
ALDH1A1 P00352 2/20 0.42
PARP1 P09874 1/20 0.42
ESR2 Q92731 7/20 0.41
ESR1 P03372 5/20 0.41
ESRRB O95718 1/20 0.41
ESRRA P11474 1/20 0.41
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 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
SCHEMBL4949489 0.84 HPGDS (0.47) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL28806465 0.80 PARP1 (0.41) ALDH1A1PARP1PDGFRBPDGFRA
SCHEMBL535363 0.78 ALDH1A1 (0.41) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL444107 0.77 ALDH1A1 (0.62) ALDH1A1PARP1PDGFRBPDGFRA
SCHEMBL27856310 0.74 HDAC8 (0.43) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL2474536 0.74 CYP1A2 (0.50) ESR2ESR1
SCHEMBL29624584 0.74 CYP1A2 (0.50) ESR2ESR1
SCHEMBL1360422 0.73 MAP4K4 (0.46) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL16289378 0.73 MAP4K4 (0.46) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL1359776 0.73 MAP4K4 (0.46) MAP4K4CDK8CLK2CDK7CDK9

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-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-101827817-B Saturated and insaturated bi- or tricyclic aryloxyacetamide derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC 2013-05-08 CN disclosed
EP-2185518-B1 Aryloxyacetamide derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-08 EP disclosed
US-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-25 US disclosed
CN-101827817-A Saturated and undersaturated two-or three cyclophane oxygen yl acetamide derivatives and they as the purposes of mycocide SYNGENTA PARTICIPATIONS AGSYNGENTA PARTICIPATIONS AG 2010-09-08 CN disclosed
EP-2185518-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-05-19 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 MAP4K4 3458/4885CDK8 2670/4885CLK2 4440/4885

“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.