SCHEMBL170677

SCHEMBL170677

COc1cc(F)c(-c2c(C)nn(C)c2Nc2c(F)cc(F)cc2F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.44
PDE10A Q9Y233 3/20 0.44
GRM8 O00222 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRM7 Q14831 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.35
POLB P06746 1/20 0.33
ADORA1 P30542 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 2/20 0.31
DHODH Q02127 1/20 0.30
SLC34A1 Q06495 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
SCHEMBL20698000 0.92 PDE2A (0.40) PDE2APDE10AGRM8CYP1A2GRM7
SCHEMBL30211213 0.87 PDE2A (0.37) PDE2APDE10AGRM8CYP1A2GRM7
SCHEMBL20680757 0.87 PDE2A (0.37) PDE2APDE10AGRM8CYP1A2GRM7
SCHEMBL15974541 0.84 RAPGEF4 (0.36) PDE2APDE10ACYP1A2RAPGEF4MAPT
SCHEMBL15974249 0.84 NMT1 (0.40) PDE2APDE10ARAPGEF4MAPTDHODH
SCHEMBL9998142 0.84 ADORA1 (0.41) PDE2APDE10AGRM8CYP1A2GRM7
SCHEMBL30582142 0.83 MAPT (0.35) PDE2APDE10ARAPGEF4TP53MAPT
SCHEMBL20698187 0.83 PDE2A (0.39) PDE2APDE10AGRM8CYP1A2GRM7
SCHEMBL15974240 0.83 PDE2A (0.31) PDE2APDE10ARAPGEF4
SCHEMBL15974493 0.83 PDE2A (0.31) PDE2APDE10ARAPGEF4

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 26 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
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 US claimed
EP-2403834-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-12-02 EP claimed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US 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-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US claimed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 US claimed
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
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
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US disclosed
WO-2014130241-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-08-28 WO 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
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 PDE2A 2527/4885PDE10A 3393/4885GRM8 2110/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PDE2A 635/4885PDE10A 1441/4885GRM8 3308/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PDE2A 635/4885PDE10A 1441/4885GRM8 3308/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 PDE2A 2527/4885PDE10A 3393/4885GRM8 2110/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PDE2A 2527/4885PDE10A 3393/4885GRM8 2110/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PDE2A 635/4885PDE10A 1441/4885GRM8 3308/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PDE2A 2527/4885PDE10A 3393/4885GRM8 2110/4885

“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.