SCHEMBL216161

SCHEMBL216161

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cccc(OC3CCN(C)CC3)c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 3/20 0.33
PLK1 P53350 3/20 0.33
CHEK2 O96017 1/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK14 Q16539 4/20 0.32
LCK P06239 2/20 0.32
KDR P35968 2/20 0.32
SRC P12931 2/20 0.32
TYK2 P29597 1/20 0.32
SYK P43405 1/20 0.32
JAK3 P52333 1/20 0.32
BTK Q06187 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ADORA2A P29274 1/20 0.31
MTOR P42345 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
SCHEMBL215858 0.92 TOP2A (0.35) KMT2ARAB9AMEN1NPC1KDM4E
SCHEMBL213660 0.87 TOP2A (0.35) KMT2ARAB9AMEN1NPC1KDM4E
Formamide SCHEMBL252132 0.84 CHEK2 (0.37) NEK2PLK1CHEK2KDR
SCHEMBL214920 0.78 MAPK14 (0.42) MAPK14
SCHEMBL214751 0.78 BTK (0.38) KMT2ARAB9AMEN1NPC1KDR
SCHEMBL214823 0.78 CHEK2 (0.35) PLK1CHEK2KMT2ARAB9AMEN1
SCHEMBL214572 0.78 BTK (0.42) KMT2AMEN1LCKKDRBTK
SCHEMBL216162 0.78 ALDH1A1 (0.39) KMT2ARAB9AMEN1NPC1MAPK14
Hydrochloric Acid SCHEMBL213800 0.78 CHEK2 (0.35) PLK1CHEK2KMT2ARAB9AMEN1
SCHEMBL214517 0.77 RAB9A (0.37) KMT2ARAB9AMEN1NPC1MAPK14

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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed
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

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 NEK2 326/4885PLK1 284/4885CHEK2 412/4885

“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.