SCHEMBL213243

SCHEMBL213243

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(OCCCN3CCN(CCO)CC3)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
MET P08581 2/20 0.33
MAOB P27338 2/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
AURKA O14965 2/20 0.33
AURKB Q96GD4 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL213820 0.95 HRH4 (0.39) CHEK2LMNAMAPK1HIF1AHRH4
SCHEMBL213923 0.94 CHEK2 (0.41) CHEK2METMAOBKDM4EMEN1
SCHEMBL213684 0.93 ITGB3 (0.38) CHEK2LMNAMAPK1HIF1AMET
Hydrochloric Acid SCHEMBL213174 0.93 ITGB3 (0.39) CHEK2LMNAMAPK1HIF1A
SCHEMBL214629 0.93 HRH3 (0.39) AURKAAURKBKDM4EMEN1KMT2A
SCHEMBL216098 0.92 KCNA5 (0.37) CHEK2LMNAMAPK1HIF1AHRH4
SCHEMBL213710 0.90 ITGB3 (0.37) CHEK2LMNAMAPK1HIF1ADRD2
SCHEMBL215870 0.90 CHEK2 (0.45) CHEK2LMNAMAPK1HIF1AMET
Hydrochloric Acid SCHEMBL213384 0.89 ITGB3 (0.38) CHEK2LMNAMAPK1HIF1ADRD2
SCHEMBL215365 0.86 CHEK2 (0.44) CHEK2LMNAMAPK1HIF1AKDM4E

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 CHEK2 412/4885LMNA 4821/4885MAPK1 354/4885

“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.