SCHEMBL174605

SCHEMBL174605

Cc1nn(C)c(-c2c(F)cc(F)cc2F)c1C(O)c1ccc(F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
AR P10275 1/20 0.34
PDE10A Q9Y233 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
SLC34A1 Q06495 1/20 0.32
HSD11B1 P28845 1/20 0.32
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 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
SCHEMBL14990298 0.92 NR3C2 (0.36) P2RX7CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL173388 0.88 HSD11B1 (0.36) P2RX7CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL174041 0.88 NR3C2 (0.35) P2RX7CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14990194 0.88 NR3C2 (0.35) P2RX7CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14990048 0.88 NR3C2 (0.35) P2RX7CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14990301 0.86 HSD11B1 (0.40) P2RX7CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL16513866 0.85 F2RL1 (0.37) ARSLC34A1KDM4E
SCHEMBL174364 0.85 MAPT (0.35) P2RX7CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL16513431 0.84 TLR4 (0.33) P2RX7CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL17938537 0.84 AR (0.33) P2RX7AR

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 P2RX7 316/4885CYP3A4 21/4885CYP1A2 8/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 P2RX7 316/4885CYP3A4 21/4885CYP1A2 8/4885

“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.