SCHEMBL175443

SCHEMBL175443

COc1ccc(-c2c(C)nn(C)c2Nc2c(F)cccc2Cl)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CRHR1 P34998 2/20 0.36
PDE10A Q9Y233 3/20 0.36
PDE2A O00408 3/20 0.36
LCK P06239 2/20 0.35
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AMY1A P0DUB6 1/20 0.34
ADORA1 P30542 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.33
IGF1R P08069 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL169854 0.93 LCK (0.42) POLBKDM4ECRHR1PDE10APDE2A
SCHEMBL171023 0.89 POLB (0.40) POLBKDM4EPDE10APDE2AGAA
SCHEMBL173457 0.88 POLB (0.39) POLBKDM4EPDE10APDE2AGAA
SCHEMBL171106 0.87 SLC34A1 (0.41)
SCHEMBL173247 0.85 CRHR1 (0.40) POLBCRHR1PDE10APDE2AGAA
SCHEMBL170521 0.83 LCK (0.44) POLBCRHR1LCKGAAADORA1
SCHEMBL170786 0.83 HSD11B1 (0.43) LCKLMNAIGF1R
SCHEMBL29369400 0.83 HSD11B1 (0.43) LCKLMNAIGF1R
SCHEMBL170536 0.82 POLB (0.38) POLBKDM4EPDE10APDE2AGAA
SCHEMBL28835079 0.81 P2RX7 (0.38) POLBKDM4EKMT2ASMN1; SMN2LMNA

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 11 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
US-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 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-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 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-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US disclosed
US-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 POLB 4671/4885KDM4E 2963/4885CRHR1 3969/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 POLB 4671/4885KDM4E 2963/4885CRHR1 3969/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 POLB 4671/4885KDM4E 2963/4885CRHR1 3969/4885

“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.