SCHEMBL9940976

SCHEMBL9940976

CC(C)c1cc(N)c(N)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
EIF4A3 P38919 1/20 0.37
PDE2A O00408 2/20 0.35
PTK2 Q05397 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 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
SCHEMBL31261124 1.00 GAA (0.39) GAAPOLBGFEREIF4A3PDE2A
SCHEMBL23691111 0.88 GAA (0.38) GAAPOLBGFEREIF4A3PDE2A
SCHEMBL18925630 0.88 EIF4A3 (0.36) GAAPOLBGFEREIF4A3PDE2A
SCHEMBL26137554 0.88 GAA (0.38) GAAPOLBGFEREIF4A3PDE2A
SCHEMBL21067053 0.84 POLB (0.53) GAAPOLBGFEREIF4A3PDE2A
SCHEMBL18135464 0.81 GAA (0.46) GAAPOLBGFERPTK2GABRA1
SCHEMBL12173270 0.81 EIF4A3 (0.42) EIF4A3PDE2AGABRA1GABRB2CA1
SCHEMBL15165728 0.80 GAA (0.35) GAAPOLBGFEREIF4A3PDE2A
SCHEMBL13319560 0.78 EIF4A3 (0.41) EIF4A3PDE2AGABRA1GABRB2CA1
SCHEMBL1911426 0.76 EIF4A3 (0.40) EIF4A3PDE2AGABRA1GABRB2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110203-A1 MULTI-COMPONENT RESIN SYSTEM COMPRISING AN ISOCYANATE MIXTURE HILTI AKTIENGESELLSCHAFT (LI) 2024-05-30 WO disclosed
EP-4375262-A1 MULTICOMPONENT RESIN SYSTEM COMPRISING AN ISOCYANATE MIXTURE Hilti Aktiengesellschaft (LI) 2024-05-29 EP disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
EP-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 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-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT GAA 777/4885POLB 305/4885GFER 4239/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT GAA 777/4885POLB 305/4885GFER 4239/4885

“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.