SCHEMBL173314

SCHEMBL173314

Cc1nn(C)c(Nc2c(F)cc(Cl)cc2F)c1-c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.39
PDE2A O00408 2/20 0.35
PDE10A Q9Y233 2/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 2/20 0.32
NMT1 P30419 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GALR3 O60755 1/20 0.32
HSD11B1 P28845 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL28057338 0.88 MAPT (0.33) GRM4PDE2APDE10AMAPTLMNA
SCHEMBL173648 0.88 NMT1 (0.41) MAPTLMNAMEN1KMT2AHTT
SCHEMBL168112 0.87 MAPT (0.34) GRM4PDE2APDE10AMAPTLMNA
SCHEMBL173330 0.87 FTO (0.36) GRM4PDE2APDE10AMAPTLMNA
SCHEMBL30582142 0.85 MAPT (0.35) PDE2APDE10AMAPTLMNAMEN1
Cyanide SCHEMBL27871260 0.84 HSD11B1 (0.38) GRM4PDE2APDE10AMAPTLMNA
SCHEMBL170377 0.82 KMT2A (0.39) MAPTMEN1KMT2AHTTNMT1
SCHEMBL170975 0.81 MAPT (0.38) MAPTHTTNMT1SMN1; SMN2KDM4E
SCHEMBL173670 0.81 SLC34A1 (0.44) GRM4PDE10AMAPTHSD11B1CYP1A2
SCHEMBL9998001 0.80 MEN1 (0.36) GRM4PDE2APDE10AMAPTLMNA

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 25 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
CN-107011326-A Fungicidal pyrazoles compound 纳幕尔杜邦公司 2017-08-04 CN 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
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
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
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 (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 GRM4 505/4885PDE2A 2527/4885PDE10A 3393/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 GRM4 2560/4885PDE2A 635/4885PDE10A 1441/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 GRM4 505/4885PDE2A 2527/4885PDE10A 3393/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 GRM4 505/4885PDE2A 2527/4885PDE10A 3393/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 GRM4 2560/4885PDE2A 635/4885PDE10A 1441/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 GRM4 505/4885PDE2A 2527/4885PDE10A 3393/4885

“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.