SCHEMBL2845041

SCHEMBL2845041

C[CH]c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.36
RIPK1 Q13546 1/20 0.36
MAT2A P31153 1/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5413852 0.80 CYP3A4 (0.36) MEN1ALDH1A1KMT2ATDP1
SCHEMBL1359343 0.77 ALDH1A1 (0.50) TNFRIPK1MEN1ALDH1A1KMT2A
SCHEMBL16268047 0.77 ALDH1A1 (0.33) TNFRIPK1MEN1ALDH1A1KMT2A
SCHEMBL17190702 0.76 ALDH1A1 (0.38) TNFRIPK1MEN1ALDH1A1KMT2A
SCHEMBL5412758 0.73 KCNH2 (0.50) MAT2AKCNH2MEN1ALDH1A1KMT2A
SCHEMBL7550008 0.72 CA12 (0.38) MEN1ALDH1A1KMT2ATDP1
SCHEMBL7550001 0.72 CA12 (0.38) MEN1ALDH1A1KMT2ATDP1
SCHEMBL3410578 0.70 ALDH1A1 (0.32) MEN1ALDH1A1KMT2A
SCHEMBL31242522 0.69 CYP3A4 (0.46) TNFRIPK1MEN1ALDH1A1KMT2A
SCHEMBL1756515 0.69 CYP3A4 (0.46) TNFRIPK1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
CN-108727337-A A kind of gram of azoles replaces the preparation method of Buddhist nun's intermediate 无锡富泽药业有限公司 2018-11-02 CN disclosed
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
EP-3322296-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-23 EP disclosed
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-25 US disclosed
EP-3256448-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2017-12-20 EP disclosed
EP-3051946-B1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2017-11-29 EP disclosed
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-02 US disclosed
WO-2017009321-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-19 WO disclosed
CN-106083708-A 2 aminopyrazole derivatives containing 2 pyridone ring side chains and preparation and application 浙江大学 2016-11-09 CN disclosed
WO-2016128365-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 WO disclosed
EP-3051946-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2016-08-10 EP disclosed
WO-2015049351-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AG (DE) 2015-04-09 WO disclosed
EP-2120578-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2014-11-19 EP disclosed
US-8551995-B2 (4-{6-Amino-5-[1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridazin-3-yl}-phenyl)-morpholin-4-yl-methanone; useful in treating disorders related to abnormal protein kinase activities such as cancer XCOVERY HOLDING COMPANY, LLC (US) 2013-10-08 US disclosed
US-20100063031-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2010-03-11 US disclosed
EP-2120578-A1 KINASE INHIBITOR COMPOUNDS Xcovery, INC. (US) 2009-11-25 EP disclosed
WO-2008088881-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-07-24 WO disclosed
EP-1786777-A1 AMINOHETEROARYL COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS Pfizer, Inc. (US) 2007-05-23 EP disclosed
WO-2006021886-A1 AMINOHETEROARYL COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 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-20100063031-A1 KINASE INHIBITOR COMPOUNDS MAP4K2, MAP3K5, MAP3K15 TNF 4722/4885RIPK1 381/4885MAT2A 2850/4885
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants CBR3, CBR1, CBS TNF 2750/4885RIPK1 3686/4885MAT2A 3316/4885
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS PPA1, PHOSPHO1, PIP4K2C TNF 3591/4885RIPK1 2176/4885MAT2A 2101/4885
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS TST, GSS, SQOR TNF 2722/4885RIPK1 2410/4885MAT2A 1128/4885

“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.