SCHEMBL1724913

SCHEMBL1724913

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.41
PDE10A Q9Y233 1/20 0.41
GRM8 O00222 1/20 0.40
CYP1A2 P05177 1/20 0.40
GRM7 Q14831 1/20 0.40
FPR2 P25090 2/20 0.35
PROKR1 Q8TCW9 2/20 0.35
PKM P14618 2/20 0.32
POLB P06746 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
LMNA P02545 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
SCHEMBL1724939 0.89 PDE10A (0.41) PDE2APDE10AGRM8CYP1A2GRM7
SCHEMBL1727361 0.88 CYP1A2 (0.32) PDE2APDE10ACYP1A2
SCHEMBL173553 0.78 PDE2A (0.47) PDE2APDE10AGRM8CYP1A2GRM7
SCHEMBL173584 0.73 PDE10A (0.47) PDE2APDE10AGRM8CYP1A2GRM7
SCHEMBL170955 0.72 POLB (0.35) CYP1A2POLB
SCHEMBL1725765 0.71 CHEK1 (0.42) CYP1A2PKMPOLBLMNA
SCHEMBL20698176 0.69 PDE2A (0.55) PDE2APDE10AGRM8CYP1A2GRM7
SCHEMBL20698000 0.67 PDE2A (0.40) PDE2APDE10AGRM8CYP1A2GRM7
SCHEMBL1725979 0.66 CHEK1 (0.38) CYP1A2POLBLMNA
SCHEMBL20697961 0.66 PDE2A (0.44) PDE2APDE10AGRM8CYP1A2GRM7

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 PDE2A 2527/4885PDE10A 3393/4885GRM8 2110/4885
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-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.