SCHEMBL1726706

SCHEMBL1726706

Cc1nn(C)c(C(=O)c2ccc(F)cc2F)c1-c1ccc(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.40
MAPK14 Q16539 5/20 0.40
P2RX7 Q99572 3/20 0.40
HSD11B1 P28845 2/20 0.39
CYP3A4 P08684 3/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
SPR P35270 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL20680748 0.88 P2RX7 (0.37) PTPN11MAPK14P2RX7HSD11B1CYP3A4
SCHEMBL20680788 0.85 SPR (0.43) PTPN11P2RX7HSD11B1MAPTSPR
SCHEMBL20698006 0.84 P2RX7 (0.37) PTPN11P2RX7HSD11B1CYP3A4HTT
SCHEMBL20698279 0.84 BCL2L11 (0.43) MAPK14P2RX7HSD11B1CYP3A4MAPT
SCHEMBL17674744 0.78 MAPK14 (0.50) MAPK14CYP3A4MAPTHTTCYP1A2
SCHEMBL20698182 0.77 P2RX7 (0.35) PTPN11P2RX7HSD11B1CYP3A4CYP1A2
SCHEMBL14990081 0.76 MAPK14 (0.45) MAPK14P2RX7HSD11B1CYP3A4MAPT
SCHEMBL17514923 0.76 HSD11B1 (0.47) PTPN11P2RX7HSD11B1CYP3A4SPR
SCHEMBL20698175 0.76 HSD11B1 (0.49) PTPN11P2RX7HSD11B1
SCHEMBL28835084 0.75 HSD11B1 (0.44) PTPN11P2RX7HSD11B1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10448639-B2 Fungicidal pyrazoles FMC CORPORATION (US) 2019-10-22 US disclosed
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 US disclosed
US-9655361-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2017-05-23 US disclosed
EP-2966063-A1 FUNGICIDAL PYRAZOLES E. I. du Pont de Nemours and Company (US) 2016-01-13 EP disclosed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 US disclosed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US disclosed
EP-2403834-A1 Fungicidal pyrazoles E. I. du Pont de Nemours and Company (US) 2012-01-11 EP disclosed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 US disclosed
WO-2010101973-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-10 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 (4 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-20110319430-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PTPN11 1104/4885MAPK14 2009/4885P2RX7 1017/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 PTPN11 1104/4885MAPK14 2009/4885P2RX7 1017/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PTPN11 1104/4885MAPK14 2009/4885P2RX7 1017/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PTPN11 1104/4885MAPK14 2009/4885P2RX7 1017/4885

“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.