SCHEMBL1724939

SCHEMBL1724939

COc1cc(F)c(-c2c(C)nn(C)c2Oc2c(F)cc(Cl)cc2F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.41
PDE2A O00408 1/20 0.41
CYP1A2 P05177 3/20 0.41
GRM8 O00222 1/20 0.41
GRM7 Q14831 1/20 0.41
FPR2 P25090 2/20 0.36
PROKR1 Q8TCW9 2/20 0.36
MGLL Q99685 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
BACE1 P56817 1/20 0.31
CTSA P10619 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
SCHEMBL1724913 0.89 PDE2A (0.41) PDE10APDE2ACYP1A2GRM8GRM7
SCHEMBL1727361 0.76 CYP1A2 (0.32) PDE10APDE2ACYP1A2CYP2C9CYP2C19
SCHEMBL173584 0.74 PDE10A (0.47) PDE10APDE2ACYP1A2GRM8GRM7
SCHEMBL173553 0.74 PDE2A (0.47) PDE10APDE2ACYP1A2GRM8GRM7
SCHEMBL170955 0.73 POLB (0.35) CYP1A2CYP2C9CYP2C19CYP3A4POLB
SCHEMBL1725765 0.72 CHEK1 (0.42) CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL1726288 0.72 PDE2A (0.39) PDE10APDE2ACYP1A2GRM8GRM7
SCHEMBL20698206 0.71 PDE10A (0.39) PDE10APDE2ACYP1A2GRM8GRM7
SCHEMBL20698299 0.71 PDE2A (0.37) PDE10APDE2ACYP1A2GRM8GRM7
SCHEMBL20698123 0.71 PDE10A (0.39) PDE10APDE2ACYP1A2GRM8GRM7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE10A 3393/4885PDE2A 2527/4885CYP1A2 29/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 PDE10A 3393/4885PDE2A 2527/4885CYP1A2 29/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PDE10A 3393/4885PDE2A 2527/4885CYP1A2 29/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PDE10A 3393/4885PDE2A 2527/4885CYP1A2 29/4885

“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.