SCHEMBL2834616

SCHEMBL2834616

CC(C)Nc1nc(S(C)(=O)=O)nc(Cl)c1-c1c(F)cccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 3/20 0.40
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
DHODH Q02127 1/20 0.33
FGFR1 P11362 1/20 0.32
MAPK14 Q16539 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.32
NR4A2 P43354 1/20 0.32
TNF P01375 1/20 0.32
SCN1A P35498 2/20 0.31
SCN5A Q14524 2/20 0.31
SCN8A Q9UQD0 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13114688 0.89 TRPV1 (0.35) GLP1RJAK2JAK1TYK2JAK3
SCHEMBL4826868 0.81 GLP1R (0.42) GLP1RJAK2JAK1TYK2JAK3
SCHEMBL4219785 0.81 GLP1R (0.42) GLP1RMEN1KMT2AMAPK14LMNA
SCHEMBL2837940 0.78 CXCR2 (0.36) JAK2MEN1KMT2ATRPV1DHODH
SCHEMBL4837619 0.77 HTT (0.37) TYK2MEN1KMT2ADHODHGAA
SCHEMBL14002239 0.75 KCNH3 (0.48) JAK2TYK2JAK3FGFR1
SCHEMBL2837480 0.74 ADORA2A (0.37) JAK2TYK2JAK3DHODHL3MBTL1
SCHEMBL2833125 0.71 KDM4E (0.33) GLP1RTRPV1LMNAALDH1A1
SCHEMBL2833122 0.71 KDM4E (0.33) GLP1RTRPV1LMNAALDH1A1
SCHEMBL13385410 0.70 JAK2 (0.39) JAK2JAK1TYK2JAK3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709637-B2 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi BASF SE (DE) 2010-05-04 US disclosed
US-7465735-B2 crop protection agents for controlling harmful fungi; improved activity; 6-chloro-2-(N'-isopropylidene-hydrazino)-5-(2,4,6-trifluorophenyl)pyrimidine-4-yl]-((S)-1-trifluoromethylethyl)amine; against Septoria Leaf Blotch of Wheat, Net Blotch of Barley and Mildew of Cucumber BASF AKTIENGESELLSCHAFT (DE) 2008-12-16 US disclosed
US-7449471-B2 5-phenylpyrimidines, their preparation, compositions comprising them and their use BASF AKTIENGESELLSCHAFT (DE) 2008-11-11 US disclosed
US-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE GYPSER ANDREAS 2007-06-28 US disclosed
CN-1312134-C 5-phenylpyrimidine compounds, compositions comprising them, processes for their preparation and their use BASF AG (DE) 2007-04-25 CN disclosed
US-20070088026-A1 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi METAVANTE CORPORATION 2007-04-19 US disclosed
US-7153860-B2 5-Phenylpyrimidines, methods and intermediate products for the production thereof and use of the same for controlling pathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2006-12-26 US disclosed
US-20060148764-A1 5-phenypyrimidines their preparation compositions comprising them and their use BASF AKTIENGESELLSCHAFT (DE) 2006-07-06 US disclosed
CN-1606547-A 5-phenylpyrimidines, fungicide compositions comprising the same, method for producing and use thereof BASF AG (DE) 2005-04-13 CN disclosed
EP-1448532-A1 5-PHENYLPYRIMIDINES, AGENTS COMPRISING THE SAME, METHOD FOR PRODUCTION AND USE THEREOF BASF Aktiengesellschaft (DE) 2004-08-25 EP disclosed
US-20040116429-A1 5-Phenylpyrimidines, methods and intermediate products for the production thereof and use of the same for controlling pathogenic fungi BASF SE (DE) 2004-06-17 US disclosed
EP-1373222-A2 5-PHENYLPYRIMIDINE, METHODS AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2004-01-02 EP disclosed
WO-2003043993-A1 5-PHENYLPYRIMIDINES, AGENTS COMPRISING THE SAME, METHOD FOR PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2003-05-30 WO disclosed
WO-2002074753-A2 5-PHENYLPYRIMIDINE, METHODS AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2002-09-26 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 (3 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-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE CBR1, CBR3, NTPCR GLP1R 3294/4885JAK2 3248/4885JAK1 3095/4885
US-20060148764-A1 5-phenypyrimidines their preparation compositions comprising them and their use CBR1, CBR3, NT5C GLP1R 3213/4885JAK2 3429/4885JAK1 3329/4885
US-20070088026-A1 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi DPYD, CBR3, RNGTT GLP1R 4610/4885JAK2 3818/4885JAK1 3893/4885

“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.