SCHEMBL173251

SCHEMBL173251

Cc1nn(C)c(Nc2c(F)cc(Cl)cc2F)c1-c1ccc(C#N)cc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 6/20 0.39
LMNA P02545 1/20 0.37
SLC34A1 Q06495 7/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
KDM1A O60341 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
PDE4A P27815 1/20 0.32
NSD2 O96028 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
SCHEMBL171014 0.92 EGLN2 (0.36) EGLN2LMNASLC34A1CYP11B1CYP11B2
SCHEMBL28057336 0.90 SLC34A1 (0.35) EGLN2LMNASLC34A1CYP11B1CYP11B2
SCHEMBL173306 0.89 SLC34A1 (0.36) EGLN2LMNASLC34A1CYP11B1CYP11B2
SCHEMBL19972842 0.89 EGLN2 (0.35) EGLN2LMNASLC34A1CYP11B1CYP11B2
SCHEMBL173670 0.85 SLC34A1 (0.44) SLC34A1
SCHEMBL1724972 0.85 SLC34A1 (0.38) LMNASLC34A1
SCHEMBL175944 0.83 AR (0.36) EGLN2LMNASLC34A1CYP11B1CYP11B2
SCHEMBL19972836 0.81 AR (0.33) EGLN2LMNASLC34A1CYP11B1CYP11B2
Cyanide SCHEMBL27871260 0.81 HSD11B1 (0.38) LMNASLC34A1
SCHEMBL170838 0.80 SLC34A1 (0.42) SLC34A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 US claimed
EP-2403834-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-12-02 EP claimed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 US claimed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US claimed
CN-102421756-A fungicidal pyrazole compounds DU PONT 2012-04-18 CN claimed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 US claimed
US-10448639-B2 Fungicidal pyrazoles FMC CORPORATION (US) 2019-10-22 US disclosed
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 US disclosed
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 US disclosed
US-9655361-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2017-05-23 US disclosed
US-9596853-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-21 US disclosed
EP-2403834-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-12-02 EP disclosed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US disclosed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US disclosed
EP-2611296-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
CN-103140136-A Fungicidal pyrazoles and mixtures thereof DU PONT 2013-06-05 CN disclosed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US disclosed
CN-102421756-A fungicidal pyrazole compounds DU PONT 2012-04-18 CN disclosed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO disclosed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 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 (7 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-20110319430-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 EGLN2 4716/4885LMNA 4062/4885SLC34A1 2257/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 EGLN2 2630/4885LMNA 4393/4885SLC34A1 1917/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 EGLN2 2630/4885LMNA 4393/4885SLC34A1 1917/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 EGLN2 4716/4885LMNA 4062/4885SLC34A1 2257/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 EGLN2 4716/4885LMNA 4062/4885SLC34A1 2257/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 EGLN2 2630/4885LMNA 4393/4885SLC34A1 1917/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 EGLN2 4716/4885LMNA 4062/4885SLC34A1 2257/4885

“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.