SCHEMBL215407

SCHEMBL215407

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1ccn[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.38
PIK3CA P42336 5/20 0.38
HPGDS O60760 1/20 0.36
MAPK14 Q16539 2/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
PKM P14618 1/20 0.33
SORT1 Q99523 1/20 0.32
SIK1 P57059 1/20 0.32
SIK2 Q9H0K1 1/20 0.32
SIK3 Q9Y2K2 1/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA1 P14867 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
SCHEMBL214660 0.86 SIK1 (0.33) MEN1RAB9AKMT2ASIK1SIK2
SCHEMBL215228 0.82 SCN9A (0.44) MEN1NPC1LMNARAB9AKMT2A
SCHEMBL214864 0.82 JAK2 (0.32) MEN1NPC1RAB9AKMT2AGABRG2
SCHEMBL215824 0.82 RAB9A (0.41) MEN1NPC1LMNARAB9AKMT2A
SCHEMBL213975 0.82 KMT2A (0.42) MEN1NPC1LMNARAB9AKMT2A
SCHEMBL214574 0.80 RAB9A (0.41) MEN1NPC1LMNAALOX15RAB9A
SCHEMBL215860 0.80 MEN1 (0.38) MEN1NPC1LMNAALOX15RAB9A
SCHEMBL213884 0.80 HCAR1 (0.33) MEN1NPC1LMNARAB9AKMT2A
SCHEMBL213991 0.80 GABRG2 (0.31) SORT1SIK1SIK2SIK3GABRG2
SCHEMBL215330 0.80 ALDH1A1 (0.46) MEN1NPC1LMNARAB9AKMT2A

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 MTOR 208/4885PIK3CA 192/4885HPGDS 950/4885

“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.