SCHEMBL4837619

SCHEMBL4837619

CC(C)Nc1nc(C#N)nc(Cl)c1-c1c(F)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
CTSK P43235 2/20 0.37
LMNA P02545 2/20 0.37
F2 P00734 1/20 0.37
MAPK1 P28482 1/20 0.37
PSMB8 P28062 2/20 0.35
ALDH1A1 P00352 3/20 0.35
TYK2 P29597 1/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RIPK1 Q13546 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NR4A2 P43354 1/20 0.32
GPR6 P46095 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4811551 0.89 CTSK (0.38) HTTCTSKLMNAPSMB8ALDH1A1
SCHEMBL2837940 0.79 CXCR2 (0.36) ALDH1A1NR4A2MEN1KMT2ADHODH
SCHEMBL2834616 0.77 GLP1R (0.40) LMNAALDH1A1TYK2GAANR4A2
SCHEMBL14002239 0.76 KCNH3 (0.48) CTSKTYK2
SCHEMBL2837480 0.74 ADORA2A (0.37) HTTMAPK1TYK2MAPTNPSR1
SCHEMBL27564023 0.71 IDH1 (0.38) HTTLMNAMAPK1ALDH1A1GAA
SCHEMBL4821031 0.70 IDH1 (0.33) HTTCTSKLMNAF2MAPK1
SCHEMBL14086457 0.70 CXCR2 (0.37) ALDH1A1TYK2KDM4ENR4A2MEN1
SCHEMBL4821037 0.70 IDH1 (0.33) HTTCTSKLMNAF2MAPK1
SCHEMBL13385489 0.69 NR4A2 (0.38) HTTLMNAMAPK1SMN1; SMN2NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-7449471-B2 5-phenylpyrimidines, their preparation, compositions comprising them and their use BASF AKTIENGESELLSCHAFT (DE) 2008-11-11 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
US-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE GYPSER ANDREAS 2007-06-28 US disclosed
US-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE GYPSER ANDREAS 2007-06-28 US disclosed
US-20060148764-A1 5-phenypyrimidines their preparation compositions comprising them and their use BASF AKTIENGESELLSCHAFT (DE) 2006-07-06 US disclosed
EP-1448532-A1 5-PHENYLPYRIMIDINES, AGENTS COMPRISING THE SAME, METHOD FOR PRODUCTION AND USE THEREOF BASF Aktiengesellschaft (DE) 2004-08-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HTT 3194/4885CTSK 4860/4885LMNA 2453/4885
US-20060148764-A1 5-phenypyrimidines their preparation compositions comprising them and their use CBR1, CBR3, NT5C HTT 2740/4885CTSK 4868/4885LMNA 1849/4885

“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.