Sugi Predict

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SCHEMBL13239852

SCHEMBL13239852

Bc1cc(C(=O)Nc2c(C)cc(C#N)cc2C(=O)NC)n(-c2ncccc2Cl)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ PPARG P37231 2/20 0.34
▸ MALT1 Q9UDY8 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ SLC2A1 P11166 2/20 0.33
▸ SLC2A3 P11169 2/20 0.33
▸ SLC2A4 P14672 2/20 0.33
▸ SLC2A2 P11168 1/20 0.33
▸ GCK P35557 3/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ TYK2 P29597 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL13913221 0.93 PKM (0.36) KMT2APKMSLC2A1SLC2A3SLC2A4
SCHEMBL13318550 0.91 SLC2A1 (0.37) KMT2APKMDHODHPPARGMALT1
SCHEMBL563502 0.91 KMT2A (0.36) KMT2APKMDHODHPPARGMALT1
SCHEMBL30845280 0.91 KMT2A (0.36) KMT2APKMDHODHPPARGMALT1
SCHEMBL12956899 0.91 PKM (0.42) KMT2APKMDHODHMALT1PDE4A
SCHEMBL12522596 0.91 EGLN1 (0.36) KMT2APKMDHODHPPARGMALT1
SCHEMBL13650074 0.91 KCNH2 (0.36) KMT2APKMDHODHPPARGMALT1
SCHEMBL11893229 0.91 PKM (0.35) KMT2APKMSLC2A1SLC2A3SLC2A4
SCHEMBL14470624 0.90 DHODH (0.36) DHODHMALT1PDE4APDE4BPDE4C
Cyantraniliprole SCHEMBL166640 0.90 DHODH (0.42) KMT2APKMDHODHPPARGMALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017174430-A1 COMBINATION OF NUCLEAR POLYHEDROSIS VIRUS AND DIAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-10-12 — — WO disclosed
US-8298989-B2 Active ingredient combinations with insecticidal properties BAYER CROPSCIENCE AG (DE) 2012-10-30 — — US disclosed
US-20100204281-A1 ECTOPARASITE CONTROL METHOD E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-12 — — US disclosed
US-20090275471-A1 ACTIVE INGREDIENT COMBINATIONS WITH INSECTICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2009-11-05 — — US disclosed
US-20080312085-A1 Pesticidal Compositions BASF SE (DE) 2008-12-18 — — US disclosed
WO-2007112893-A2 ACTIVE SUBSTANCE COMBINATIONS WITH INSECTICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2007-10-11 — — 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-20100204281-A1 ECTOPARASITE CONTROL METHOD HRH4, CBR3, HRH3 KMT2A 2175/4885PKM 3124/4885DHODH 1198/4885
US-20090275471-A1 ACTIVE INGREDIENT COMBINATIONS WITH INSECTICIDAL PROPERTIES AADAC, ACHE, NAAA KMT2A 1040/4885PKM 3496/4885DHODH 1041/4885
US-20080312085-A1 Pesticidal Compositions ANXA1, PRDX1, PRDX2 KMT2A 1358/4885PKM 1745/4885DHODH 2411/4885

“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.