SCHEMBL170520

SCHEMBL170520

COc1cc(F)c(Nc2c(-c3ccc(F)cc3Cl)c(C)nn2C)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.39
PDE2A O00408 4/20 0.39
IGF1R P08069 2/20 0.38
CRHR1 P34998 2/20 0.37
HSD11B1 P28845 2/20 0.37
SLC34A1 Q06495 2/20 0.37
PDE7A Q13946 1/20 0.36
PDE6D O43924 1/20 0.36
PDE6A P16499 1/20 0.36
PDE6G P18545 1/20 0.36
PDE6B P35913 1/20 0.36
PDE6C P51160 1/20 0.36
PDE6H Q13956 1/20 0.36
POLB P06746 1/20 0.35
LRRK2 Q5S007 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL173677 0.90 HSD11B1 (0.40) IGF1RHSD11B1SLC34A1P2RX7
SCHEMBL29368805 0.90 HSD11B1 (0.40) IGF1RHSD11B1SLC34A1P2RX7
SCHEMBL173410 0.90 SLC34A1 (0.41) IGF1RHSD11B1SLC34A1P2RX7
SCHEMBL17200657 0.89 HSD11B1 (0.40) IGF1RHSD11B1SLC34A1P2RX7
SCHEMBL9997757 0.87 HSD11B1 (0.38) IGF1RHSD11B1SLC34A1P2RX7
SCHEMBL29367611 0.86 HSD11B1 (0.42) IGF1RHSD11B1SLC34A1P2RX7
SCHEMBL175783 0.86 HSD11B1 (0.42) IGF1RHSD11B1SLC34A1P2RX7
SCHEMBL168744 0.86 SLC34A1 (0.41) IGF1RHSD11B1SLC34A1P2RX7
SCHEMBL170613 0.85 HSD11B1 (0.39) IGF1RHSD11B1SLC34A1P2RX7
SCHEMBL173545 0.85 HSD11B1 (0.42) PDE10APDE2AIGF1RHSD11B1SLC34A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 US claimed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US claimed
EP-2611296-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP claimed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US claimed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO 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
EP-2403834-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-12-02 EP disclosed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US disclosed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 US disclosed
US-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 US 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
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 PDE10A 3393/4885PDE2A 2527/4885IGF1R 946/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PDE10A 1441/4885PDE2A 635/4885IGF1R 1109/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PDE10A 1441/4885PDE2A 635/4885IGF1R 1109/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 PDE10A 3393/4885PDE2A 2527/4885IGF1R 946/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PDE10A 3393/4885PDE2A 2527/4885IGF1R 946/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PDE10A 1441/4885PDE2A 635/4885IGF1R 1109/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PDE10A 3393/4885PDE2A 2527/4885IGF1R 946/4885

“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.