SCHEMBL174308

SCHEMBL174308

Cc1nn(C)c(-c2c(F)cccc2F)c1C(O)c1ccc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
APLNR P35414 1/20 0.33
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 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.31
BRD4 O60885 1/20 0.31
PDE10A Q9Y233 1/20 0.31
TP53 P04637 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
SCHEMBL14989942 0.92 PDE10A (0.34) GRM5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL174364 0.90 MAPT (0.35) GRM5PGRNR3C2CYP1A2CYP3A4
SCHEMBL14990298 0.90 NR3C2 (0.36) GRM5NR3C2CYP1A2CYP3A4CYP2C9
SCHEMBL14990157 0.86 PGR (0.33) GRM5PGRNR3C2CES2CES1
SCHEMBL14990194 0.85 NR3C2 (0.35) NR3C2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL174041 0.85 NR3C2 (0.35) NR3C2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14990543 0.85 AR (0.35) PGRNR3C2CYP1A2CYP3A4CYP2C9
SCHEMBL14990048 0.85 NR3C2 (0.35) NR3C2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14990309 0.85 GRM5 (0.40) GRM5PGRNR3C2CES2CES1
SCHEMBL174605 0.83 P2RX7 (0.35) PGRNR3C2CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105130900-B Antifungal pyrazoles 纳幕尔杜邦公司 2018-05-22 CN disclosed
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 GRM5 2918/4885PGR 1490/4885NR3C2 1905/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 GRM5 2918/4885PGR 1490/4885NR3C2 1905/4885

“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.