SCHEMBL173488

SCHEMBL173488

COc1ccc(C(O)c2c(Cl)nn(C)c2-c2c(F)cccc2F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.35
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
PDE10A Q9Y233 1/20 0.33
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
BRD4 O60885 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGES O14684 1/20 0.32
HSD17B10 Q99714 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MGLL Q99685 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL174146 0.93 MEN1 (0.33) PDE10AFPR1FPR2BRD4MEN1
SCHEMBL175095 0.92 RAB9A (0.33) BRD4MEN1KMT2APTGESHSD17B10
SCHEMBL12504939 0.84 RECQL (0.36) PDE10ABRD4IDO1TDO2
SCHEMBL176222 0.83 MEN1 (0.33) PDE10AFPR1FPR2BRD4MEN1
SCHEMBL164934 0.81 NR3C2 (0.37) MEN1KMT2A
SCHEMBL174973 0.80 RAB9A (0.34) FPR1FPR2BRD4MEN1KMT2A
SCHEMBL174422 0.79 MEN1 (0.37) PDE10ABRD4MEN1KMT2APTGES
SCHEMBL173710 0.79 MEN1 (0.35) PDE10AMEN1KMT2APTGESPTGS2
SCHEMBL174373 0.79 RAB9A (0.33) PDE10ABRD4PTGESHSD17B10MGLL
SCHEMBL174378 0.75 NR3C2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611297-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-06-17 EP claimed
US-8754115-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-17 US claimed
EP-2611297-A1 FUNGICIDAL PYRAZOLES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP claimed
US-20130143940-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US claimed
WO-2012030922-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO claimed
US-9131693-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-09-15 US disclosed
EP-2611297-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-06-17 EP disclosed
US-20140221448-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US disclosed
US-8754115-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-17 US disclosed
EP-2611297-A1 FUNGICIDAL PYRAZOLES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
US-20130143940-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
WO-2012030922-A1 FUNGICIDAL PYRAZOLES 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 (2 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-20140221448-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 PRKDC 964/4885MTNR1A 813/4885MTNR1B 1052/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 PRKDC 964/4885MTNR1A 813/4885MTNR1B 1052/4885

“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.