Sugi Predict

Sugi Predict / Compounds / SCHEMBL170409

SCHEMBL170409

SCHEMBL170409

Cc1nn(C)c(Nc2ccc(F)cc2Cl)c1-c1c(F)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.41
▸ GAA P10253 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ FABP3 P05413 1/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ P2RX7 Q99572 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ SLC34A1 Q06495 2/20 0.34

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
SCHEMBL30308993 0.83 MAPK1 (0.44) MAPK1GAAKMT2AMEN1TP53
SCHEMBL171493 0.83 MAPK1 (0.44) MAPK1GAAKMT2AMEN1TP53
SCHEMBL170372 0.82 MAPK1 (0.40) MAPK1GAAKMT2AMEN1TP53
SCHEMBL173330 0.81 FTO (0.36) GAAKMT2AMEN1HSD11B1P2RX7
SCHEMBL15155230 0.80 HSD11B1 (0.48) MAPK1KMT2ATP53RXFP1FABP3
SCHEMBL29369356 0.80 HSD11B1 (0.48) MAPK1KMT2ATP53RXFP1FABP3
SCHEMBL17200651 0.79 MAPK1 (0.41) MAPK1GAAKMT2AMEN1TP53
SCHEMBL29368728 0.79 HSD11B1 (0.44) TP53RXFP1HSD11B1P2RX7CYP3A4
SCHEMBL15155314 0.79 HSD11B1 (0.44) TP53RXFP1HSD11B1P2RX7CYP3A4
SCHEMBL9998001 0.79 MEN1 (0.36) GAAKMT2AMEN1MAPTLMNA

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 25 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
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
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 (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 MAPK1 2750/4885GAA 4069/4885KMT2A 2374/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 MAPK1 344/4885GAA 2812/4885KMT2A 3900/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 MAPK1 2750/4885GAA 4069/4885KMT2A 2374/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 MAPK1 2750/4885GAA 4069/4885KMT2A 2374/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 MAPK1 344/4885GAA 2812/4885KMT2A 3900/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 MAPK1 2750/4885GAA 4069/4885KMT2A 2374/4885

“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.