SCHEMBL4835877

SCHEMBL4835877

C[C@H](Nc1nc(NN)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.33
IDH2 P48735 3/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 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
SCHEMBL5752604 0.87 BCL6 (0.33) MEN1ALDH1A1MAPTPKMRAB9A
SCHEMBL13114687 0.82 IDH1 (0.39) IDH1IDH2MEN1ALDH1A1KMT2A
SCHEMBL3568691 0.82 IDH1 (0.39) IDH1IDH2MEN1ALDH1A1KMT2A
SCHEMBL14000746 0.82 IDH1 (0.34) IDH1IDH2
SCHEMBL14000744 0.81 LMNA (0.30)
SCHEMBL4835814 0.81 LMNA (0.30)
SCHEMBL4835820 0.81 LMNA (0.30)
SCHEMBL14000735 0.81 IDH1 (0.31) IDH1IDH2
SCHEMBL14561497 0.80 IDH1 (0.31) IDH1IDH2
SCHEMBL5109371 0.80 MAPK1 (0.33)

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-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-20070054929-A1 2-Substituted pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2007-03-08 US disclosed
US-20070054929-A1 2-Substituted pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2007-03-08 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 (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 IDH1 102/4885IDH2 397/4885MEN1 4453/4885
US-20060148764-A1 5-phenypyrimidines their preparation compositions comprising them and their use CBR1, CBR3, NT5C IDH1 181/4885IDH2 592/4885MEN1 4485/4885
US-20070054929-A1 2-Substituted pyrimidines TYMP, TYMS, RPIA IDH1 246/4885IDH2 273/4885MEN1 2516/4885

“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.