SCHEMBL1726288

SCHEMBL1726288

COc1cc(F)c(-c2c(C)nn(C)c2Nc2ccc(Cl)cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GALR3 O60755 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.39
GRM8 O00222 1/20 0.39
GRM7 Q14831 1/20 0.39
APP P05067 1/20 0.39
GRM4 Q14833 1/20 0.38
SLC2A1 P11166 1/20 0.38
BRD4 O60885 1/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.37
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36

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
SCHEMBL20698179 0.81 PDE10A (0.39) PDE2APDE10AMAPTSMN1; SMN2CYP1A2
SCHEMBL170372 0.81 MAPK1 (0.40) PDE2APDE10AMAPTCYP1A2GRM8
SCHEMBL23804454 0.79 L3MBTL1 (0.41) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL30211202 0.79 L3MBTL1 (0.41) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL170677 0.79 PDE2A (0.44) PDE2APDE10AMAPTCYP1A2GRM8
SCHEMBL9998142 0.79 ADORA1 (0.41) PDE2APDE10AMAPTKDM4EHTT
SCHEMBL20697915 0.78 PDE10A (0.38) PDE2APDE10AMAPTSMN1; SMN2CYP1A2
SCHEMBL20698143 0.78 PDE2A (0.36) PDE2APDE10ACYP1A2GRM8GRM7
SCHEMBL27212607 0.77 PDE2A (0.36) PDE2APDE10AMAPTSMN1; SMN2CYP1A2
SCHEMBL30211206 0.76 PDE2A (0.37) PDE2APDE10AMAPTSMN1; SMN2CYP1A2

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 14 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-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-9655361-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2017-05-23 US disclosed
EP-2403834-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-12-02 EP disclosed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 US disclosed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US 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 (4 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 3393/4885MAPT 4737/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 PDE2A 2527/4885PDE10A 3393/4885MAPT 4737/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PDE2A 2527/4885PDE10A 3393/4885MAPT 4737/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PDE2A 2527/4885PDE10A 3393/4885MAPT 4737/4885

“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.