SCHEMBL4821031

SCHEMBL4821031

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.33
CTSL P07711 3/20 0.33
CTSS P25774 3/20 0.33
CTSC P53634 3/20 0.33
CTSZ Q9UBR2 3/20 0.33
CTSV O60911 2/20 0.33
CTSH P09668 2/20 0.33
CTSK P43235 2/20 0.33
KLK4 Q9Y5K2 2/20 0.33
CTSB P07858 1/20 0.33
CASP4 P49662 1/20 0.33
MMP14 P50281 1/20 0.33
BACE1 P56817 1/20 0.33
ADAM17 P78536 1/20 0.33
CASP1 P29466 2/20 0.31
F2 P00734 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
IDH2 P48735 3/20 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
SCHEMBL4821037 1.00 IDH1 (0.33) IDH1CTSLCTSSCTSCCTSZ
SCHEMBL14218664 0.86 ADORA1 (0.36) IDH1CTSSCTSKIDH2
SCHEMBL5530434 0.82 HTT (0.36) HTT
SCHEMBL14000735 0.80 IDH1 (0.31) IDH1IDH2
SCHEMBL4835877 0.80 IDH1 (0.33) IDH1IDH2RAB9A
SCHEMBL5101875 0.78 MDM2 (0.35)
SCHEMBL2833122 0.78 KDM4E (0.33) IDH1LMNAIDH2RAB9A
SCHEMBL2833125 0.78 KDM4E (0.33) IDH1LMNAIDH2RAB9A
SCHEMBL5109371 0.77 MAPK1 (0.33) MAPK1
SCHEMBL4818860 0.77

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 23 patents — showing the first 20. 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-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-7375108-B2 2-substituted pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2008-05-20 US disclosed
US-7375108-B2 2-substituted pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2008-05-20 US disclosed
US-7317015-B2 2-Substituted pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2008-01-08 US disclosed
US-7317015-B2 2-Substituted pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2008-01-08 US disclosed
US-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE GYPSER ANDREAS 2007-06-28 US disclosed
US-20070129380-A1 2-Substituted pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2007-06-07 US disclosed
US-20070105873-A1 2-Substituted pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2007-05-10 US disclosed
US-20070105873-A1 2-Substituted pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2007-05-10 US disclosed
EP-1651618-B1 2-SUBSTITUTED PYRIMIDINES BASF AG (DE) 2007-01-03 EP disclosed
EP-1651618-A1 2-SUBSTITUTED PYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2006-05-03 EP disclosed
EP-1651617-A1 2-SUBSTITUTED PYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2006-05-03 EP disclosed
WO-2005019187-A1 2-SUBSTITUTED PYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2005-03-03 WO disclosed
WO-2005012261-A1 2-SUBSTITUTED PYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2005-02-10 WO 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-20070129380-A1 2-Substituted pyrimidines C5, C3AR1, C1R IDH1 486/4885CTSL 2227/4885CTSS 2185/4885
US-20070105873-A1 2-Substituted pyrimidines TYMP, RRM2, TYMS IDH1 763/4885CTSL 2726/4885CTSS 3384/4885
US-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE CBR1, CBR3, NTPCR IDH1 102/4885CTSL 4758/4885CTSS 4841/4885

“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.