SCHEMBL170944

SCHEMBL170944

Cc1nn(C)c(Oc2ccc(C#N)cc2F)c1-c1ccc(F)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 5/20 0.35
BRD4 O60885 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
AR P10275 1/20 0.33
SCN9A Q15858 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
ICMT O60725 1/20 0.33
POLB P06746 1/20 0.32
MAPK14 Q16539 1/20 0.31

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
SCHEMBL1726094 0.88 GPR6 (0.35) GPR6BRD4POLBMAPK14
SCHEMBL9997403 0.88 AR (0.37) GPR6BRD4SLC22A12GPR119AR
SCHEMBL168453 0.88 POLB (0.33) POLB
SCHEMBL171000 0.82 AR (0.45) GPR6SLC22A12GPR119ARMAPK14
SCHEMBL173682 0.81 POLB (0.40) GPR6SLC22A12GPR119ARSCN9A
SCHEMBL1726006 0.80 AR (0.46) GPR6SLC22A12GPR119ARICMT
SCHEMBL1726550 0.76 AR (0.38) SLC22A12ARPOLB
SCHEMBL173769 0.75 HSD11B1 (0.36) ARPOLB
SCHEMBL169379 0.72 AR (0.47) SLC22A12GPR119ARICMTPOLB
SCHEMBL30415275 0.69 MAPT (0.46) POLBMAPK14

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 20 patents. 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-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-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 US disclosed
US-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 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
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US disclosed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO disclosed
EP-2403834-A1 Fungicidal pyrazoles E. I. du Pont de Nemours and Company (US) 2012-01-11 EP disclosed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 US disclosed
WO-2010101973-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-10 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 (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 GPR6 1425/4885BRD4 1287/4885SLC22A12 3193/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 GPR6 4206/4885BRD4 3659/4885SLC22A12 4500/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 GPR6 4206/4885BRD4 3659/4885SLC22A12 4500/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 GPR6 1425/4885BRD4 1287/4885SLC22A12 3193/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 GPR6 1425/4885BRD4 1287/4885SLC22A12 3193/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 GPR6 4206/4885BRD4 3659/4885SLC22A12 4500/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 GPR6 1425/4885BRD4 1287/4885SLC22A12 3193/4885

“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.