Sugi Predict

Sugi Predict / Compounds / SCHEMBL168717

SCHEMBL168717

SCHEMBL168717

Cc1nn(C)c(Nc2ccc(F)cc2Br)c1-c1ccc(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.39
▸ MAPK1 P28482 1/20 0.37
▸ SLC34A1 Q06495 3/20 0.36
▸ IGF1R P08069 3/20 0.35
▸ P2RX7 Q99572 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CXCR2 P25025 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL17200654 0.94 HSD11B1 (0.37) HSD11B1MAPK1SLC34A1IGF1RP2RX7
SCHEMBL15155662 0.91 HSD11B1 (0.43) HSD11B1MAPK1SLC34A1IGF1RP2RX7
SCHEMBL29370012 0.91 HSD11B1 (0.43) HSD11B1MAPK1SLC34A1IGF1RP2RX7
SCHEMBL171493 0.90 MAPK1 (0.44) HSD11B1MAPK1SLC34A1IGF1RP2RX7
SCHEMBL30308993 0.90 MAPK1 (0.44) HSD11B1MAPK1SLC34A1IGF1RP2RX7
SCHEMBL170951 0.88 MAPT (0.40) SLC34A1MAPTNPSR1CYP3A4CYP1A2
SCHEMBL17200651 0.86 MAPK1 (0.41) HSD11B1MAPK1SLC34A1IGF1RP2RX7
SCHEMBL20697907 0.86 HSD11B1 (0.39) HSD11B1MAPK1SLC34A1IGF1RP2RX7
SCHEMBL17200669 0.86 SMN1; SMN2 (0.36) SLC34A1IGF1RMAPTNPSR1KDM4E
SCHEMBL17200665 0.85 MAPK1 (0.37) HSD11B1MAPK1SLC34A1P2RX7MAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 — — US claimed
EP-2403834-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-12-02 — — EP claimed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 — — US claimed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 — — US claimed
CN-102421756-A fungicidal pyrazole compounds DU PONT 2012-04-18 — — CN claimed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 — — US claimed
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-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 — — US disclosed
US-9655361-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2017-05-23 — — US disclosed
US-9596853-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-21 — — US disclosed
CN-106417305-A Fungicidal pyrazoles and their mixtures 杜邦公司 2017-02-22 — — CN disclosed
CN-106008299-A Intermediate for preparing fungicidal pyrazoles 杜邦公司 2016-10-12 — — CN disclosed
US-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 — — US disclosed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 — — US disclosed
EP-2611296-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E.I. Du Pont De Nemours And Company (US) 2013-07-10 — — EP disclosed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 — — US disclosed
CN-102421756-A fungicidal pyrazole compounds DU PONT 2012-04-18 — — CN disclosed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 — — WO disclosed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 — — US 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 (6 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 HSD11B1 962/4885MAPK1 2750/4885SLC34A1 2257/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 HSD11B1 1540/4885MAPK1 344/4885SLC34A1 1917/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 HSD11B1 962/4885MAPK1 2750/4885SLC34A1 2257/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 HSD11B1 962/4885MAPK1 2750/4885SLC34A1 2257/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 HSD11B1 1540/4885MAPK1 344/4885SLC34A1 1917/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 HSD11B1 962/4885MAPK1 2750/4885SLC34A1 2257/4885

“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.