SCHEMBL174649

SCHEMBL174649

Cc1nn(C)c(-c2ccc(F)cc2Br)c1C(O)c1c(F)cc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
GRM5 P41594 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
GAA P10253 1/20 0.33
SLC34A1 Q06495 7/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 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
SCHEMBL174736 0.86 HSD11B1 (0.40) GRM5PGRNR3C2SLC34A1PDE10A
SCHEMBL14990309 0.79 GRM5 (0.40) GRM5PGRNR3C2SLC34A1CYP1A2
SCHEMBL14990292 0.75 HSD11B1 (0.39) GRM5PGRNR3C2SLC34A1CYP1A2
SCHEMBL16514191 0.75 PGR (0.31) GRM5PGRNR3C2PDE10ACYP1A2
SCHEMBL173912 0.75 SLC34A1 (0.31) GRM5SLC34A1CYP1A2CYP3A4CYP2C9
SCHEMBL14990200 0.74 HSD11B1 (0.39) NR3C2PDE10AMAPT
SCHEMBL174404 0.73 CRHR1 (0.38) SLC34A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14990301 0.72 HSD11B1 (0.40) SLC34A1PDE10ACYP1A2CYP3A4CYP2C9
SCHEMBL3488435 0.71 PGR (0.45) PIK3R1PIK3CAGRM5PGRNR3C2
SCHEMBL174605 0.71 P2RX7 (0.35) PGRNR3C2SLC34A1PDE10ACYP1A2

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 PIK3R1 488/4885PIK3CA 395/4885GRM5 2918/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 PIK3R1 488/4885PIK3CA 395/4885GRM5 2918/4885

“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.