SCHEMBL214245

SCHEMBL214245

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BACE1 P56817 3/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
CD38 P28907 1/20 0.36
MAPK14 Q16539 1/20 0.36
POLB P06746 1/20 0.36
PTGFR P43088 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MET P08581 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL215860 0.90 MEN1 (0.38) NPC1RAB9ASMN1; SMN2POLBPTGFR
SCHEMBL215824 0.90 RAB9A (0.41) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL215228 0.88 SCN9A (0.44) NPC1RAB9ASMN1; SMN2POLBPTGFR
SCHEMBL213975 0.88 KMT2A (0.42) NPC1RAB9ASMN1; SMN2POLBPTGFR
SCHEMBL214574 0.86 RAB9A (0.41) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL215330 0.85 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL213700 0.85 SORT1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL214745 0.84 KMT2A (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL214707 0.83 GAA (0.47) NPC1RAB9AMAPK14POLBPTGFR
SCHEMBL215845 0.81 IRAK4 (0.39) NPC1RAB9APTGFRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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 (1 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 NPC1 3307/4885RAB9A 2213/4885SMN1; SMN2 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.