SCHEMBL10140235

SCHEMBL10140235

Cc1cccnc1-n1nc(Br)cc1C(=O)Nc1c(C)cc(C#N)cc1C(=O)NC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.36
EGLN1 Q9GZT9 1/20 0.36
DHODH Q02127 2/20 0.36
PKM P14618 1/20 0.35
KCNH2 Q12809 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CAPN1 P07384 1/20 0.33
SORT1 Q99523 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
JAK3 P52333 2/20 0.32
TNF P01375 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGA4 P13612 1/20 0.32
XIAP P98170 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
SCHEMBL563173 0.93 DHODH (0.41) PDE4AEGLN1DHODHPKMKCNH2
SCHEMBL30078383 0.93 DHODH (0.41) PDE4AEGLN1DHODHPKMKCNH2
SCHEMBL14227757 0.93 DHODH (0.39) PDE4AEGLN1DHODHPKMKCNH2
SCHEMBL11893257 0.93 PDE4A (0.36) PDE4AEGLN1DHODHPKMKCNH2
SCHEMBL10140229 0.91 DHODH (0.37) EGLN1DHODHPKMKCNH2SORT1
SCHEMBL10140240 0.90 KMT2A (0.35) PDE4AEGLN1PKMKCNH2PDE4B
SCHEMBL16606345 0.90 SORT1 (0.40) DHODHPKMSORT1JAK2JAK1
SCHEMBL13442912 0.89 DHODH (0.37) PDE4ADHODHPKMPDE4BPDE4C
SCHEMBL10140140 0.89 SORT1 (0.39) PDE4ADHODHPKMKCNH2CAPN1
SCHEMBL13630504 0.88 EGLN1 (0.37) EGLN1DHODHPKMCAPN1SORT1

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-9949482-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, LLC (US) 2018-04-24 US disclosed
US-20170071205-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, LLC (US) 2017-03-16 US disclosed
US-20160302414-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2016-10-20 US disclosed
US-9282743-B2 Chemical compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-03-15 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-20140148339-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-05-29 US disclosed
US-8536089-B2 For controlling phytopathogenic diseases; synergistic SYNGENTA CROP PROTECTION LLC (US) 2013-09-17 US disclosed
US-20130210625-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-08-15 US disclosed
US-8124567-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, INC. (US) 2012-02-28 US disclosed
US-8124566-B2 Synergistic fungicidal compositions SYNGENTA CROP PROTECTION, INC. (US) 2012-02-28 US disclosed
US-20080076664-A1 Fungicidal Compositions SYNGENTA CROP PROTECTION, INC. 2008-03-27 US disclosed
US-20080070785-A1 For controlling phytopathogenic diseases; synergistic SYNGENTA CROP PROTECTION, INC. (US) 2008-03-20 US disclosed
US-20070265267-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, INC. (US) 2007-11-15 US disclosed
US-20070244121-A1 Synergistic Fungicidal Compositions SYNGENTA CROP PROTECTION, INC. (US) 2007-10-18 US 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 (8 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-20130210625-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES DDT, PYCR1, PKD2 PDE4A 814/4885EGLN1 1982/4885DHODH 248/4885
US-20160302414-A1 INSECTICIDAL COMPOUNDS ACHE, AADAC, CASP3 PDE4A 937/4885EGLN1 869/4885DHODH 1693/4885
US-20070265267-A1 FUNGICIDAL COMPOSITIONS CRY1, ERG28, DDT PDE4A 3336/4885EGLN1 1174/4885DHODH 2433/4885
US-20070244121-A1 Synergistic Fungicidal Compositions DDT, CRY1, HCN1 PDE4A 3034/4885EGLN1 2039/4885DHODH 1980/4885
US-20080070785-A1 For controlling phytopathogenic diseases; synergistic BROX, EPM2A, MANBA PDE4A 1356/4885EGLN1 1009/4885DHODH 2383/4885
US-20140148339-A1 CHEMICAL COMPOUNDS DDT, CYP1B1, CYP1A1 PDE4A 1985/4885EGLN1 258/4885DHODH 132/4885
US-20170071205-A1 FUNGICIDAL COMPOSITIONS PIK3C3, CYP51A1, CYP1B1 PDE4A 504/4885EGLN1 457/4885DHODH 874/4885
US-20080076664-A1 Fungicidal Compositions AKR7A2, CYP51A1, TUBA3C PDE4A 3169/4885EGLN1 1680/4885DHODH 717/4885

“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.