SCHEMBL170898

SCHEMBL170898

Cc1nn(C)c(O)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.34
PDE2A O00408 3/20 0.34
HTR7 P34969 1/20 0.34
MAPT P10636 2/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SPR P35270 1/20 0.32
THRB P10828 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
HTR5A P47898 1/20 0.31
CYP1A2 P05177 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRM8 O00222 1/20 0.31
GRM7 Q14831 1/20 0.31
OPRM1 P35372 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL15974541 0.75 RAPGEF4 (0.36) PDE10APDE2AMAPTCYP1A2CYP2C19
SCHEMBL17514923 0.71 HSD11B1 (0.47) PDE10APDE2ASPRPGRNR3C2
SCHEMBL31617367 0.70 PDE10A (0.33) PDE10APDE2AHTR7KDM4EHTT
SCHEMBL30582142 0.69 MAPT (0.35) PDE10APDE2AMAPTKDM4EHTT
SCHEMBL20698022 0.69 ESR1 (0.31)
SCHEMBL1724836 0.69 MAPT (0.44) PDE10APDE2AMAPTCYP1A2CYP3A4
SCHEMBL15974249 0.68 NMT1 (0.40) PDE10APDE2AMAPTKDM4EHTT
SCHEMBL1727361 0.68 CYP1A2 (0.32) PDE10APDE2AMAPTCYP1A2CYP3A4
SCHEMBL613838 0.68 ADORA2A (0.45) PDE10APDE2AMAPTADORA2AADORA2B
SCHEMBL30480710 0.68 ADORA2A (0.45) PDE10APDE2AMAPTADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590340-B1 INTERMEDIATES FOR THE SYNTHESIS OF FUNGICIDAL PYRAZOLES FMC CORP (US) 2023-11-15 EP disclosed
US-10448639-B2 Fungicidal pyrazoles FMC CORPORATION (US) 2019-10-22 US disclosed
CN-106008299-B It is used to prepare the intermediate of antifungal pyrazoles 杜邦公司 2018-05-11 CN 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
CN-106417305-A Fungicidal pyrazoles and their mixtures 杜邦公司 2017-02-22 CN disclosed
CN-106008299-A Intermediate for preparing fungicidal pyrazoles 杜邦公司 2016-10-12 CN disclosed
CN-103140136-B9 Fungicidal pyrazoles and mixtures thereof 杜邦公司 2016-06-29 CN 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
US-20140288074-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-09-25 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
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 (6 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 PDE10A 3393/4885PDE2A 2527/4885HTR7 3496/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PDE10A 1441/4885PDE2A 635/4885HTR7 4506/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 PDE10A 3393/4885PDE2A 2527/4885HTR7 3496/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PDE10A 1441/4885PDE2A 635/4885HTR7 4506/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PDE10A 3393/4885PDE2A 2527/4885HTR7 3496/4885
US-20140288074-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, NOX3 PDE10A 1399/4885PDE2A 346/4885HTR7 4581/4885

“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.