SCHEMBL10140202

SCHEMBL10140202

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.38
SLC2A1 P11166 1/20 0.36
SLC2A2 P11168 1/20 0.36
SLC2A3 P11169 1/20 0.36
SLC2A4 P14672 1/20 0.36
CARM1 Q86X55 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL11893226 0.94 KLKB1 (0.41) KLKB1SLC2A1SLC2A2SLC2A3SLC2A4
SCHEMBL782144 0.94 KLKB1 (0.37) KLKB1SLC2A1SLC2A2SLC2A3SLC2A4
SCHEMBL10140212 0.91 CARM1 (0.38) KLKB1SLC2A1SLC2A2SLC2A3SLC2A4
SCHEMBL10140235 0.88 PDE4A (0.36) KMT2A
SCHEMBL10140240 0.88 KMT2A (0.35) SLC2A1SLC2A2SLC2A3SLC2A4KMT2A
SCHEMBL10140135 0.88 CARM1 (0.37) KLKB1CARM1F2F10TP53
SCHEMBL10140160 0.88 CARM1 (0.37) KLKB1CARM1F10TP53KDM4E
SCHEMBL11893157 0.85 KLKB1 (0.39) KLKB1SLC2A1SLC2A2SLC2A3SLC2A4
SCHEMBL782240 0.85 SLC2A1 (0.38) KLKB1SLC2A1SLC2A2SLC2A3SLC2A4
SCHEMBL11893257 0.84 PDE4A (0.36) KLKB1SLC2A1SLC2A2SLC2A3SLC2A4

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 15 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-9538755-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, LLC (US) 2017-01-10 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-20140051736-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, LLC (US) 2014-02-20 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-20140051736-A1 FUNGICIDAL COMPOSITIONS PIK3C3, CYP51A1, CYP1B1 KLKB1 3263/4885SLC2A1 4040/4885SLC2A2 3817/4885
US-20130210625-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES DDT, PYCR1, PKD2 KLKB1 4616/4885SLC2A1 4741/4885SLC2A2 4799/4885
US-20160302414-A1 INSECTICIDAL COMPOUNDS ACHE, AADAC, CASP3 KLKB1 3945/4885SLC2A1 4777/4885SLC2A2 4754/4885
US-20070265267-A1 FUNGICIDAL COMPOSITIONS CRY1, ERG28, DDT KLKB1 4648/4885SLC2A1 1275/4885SLC2A2 1206/4885
US-20070244121-A1 Synergistic Fungicidal Compositions DDT, CRY1, HCN1 KLKB1 4832/4885SLC2A1 1324/4885SLC2A2 1365/4885
US-20080070785-A1 For controlling phytopathogenic diseases; synergistic BROX, EPM2A, MANBA KLKB1 3750/4885SLC2A1 3645/4885SLC2A2 3504/4885
US-20170071205-A1 FUNGICIDAL COMPOSITIONS PIK3C3, CYP51A1, CYP1B1 KLKB1 3263/4885SLC2A1 4040/4885SLC2A2 3817/4885
US-20080076664-A1 Fungicidal Compositions AKR7A2, CYP51A1, TUBA3C KLKB1 4124/4885SLC2A1 2007/4885SLC2A2 1939/4885

“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.