SCHEMBL214889

SCHEMBL214889

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(N3CCN(Cc4ccccc4)CC3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
BACE1 P56817 4/20 0.37
HTR1A P08908 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
MAPK14 Q16539 2/20 0.36
PARP1 P09874 2/20 0.36
TBK1 Q9UHD2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
ALK Q9UM73 1/20 0.35
CCR5 P51681 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL214519 0.94 TBK1 (0.38) MAPK14PARP1TBK1CCR5
SCHEMBL214177 0.93 MAPK14 (0.37) HTR1AHTR2AMAPTMAPK14SMN1; SMN2
SCHEMBL215149 0.90 KIT (0.36) DRD4MAPK14PTGDR
SCHEMBL214523 0.89 MAPK14 (0.35) MAPTMAPK14LMNARAB9APTGDR
SCHEMBL214920 0.89 MAPK14 (0.42) MAPK14
SCHEMBL215772 0.88 AURKA (0.35) DRD4HTR2AMAPK14
Acetic Acid SCHEMBL214839 0.87 AURKA (0.34) HTR1ADRD4HTR2AMAPK14
SCHEMBL214506 0.87 MAPK14 (0.34) BACE1MAPTMAPK14LMNAHDAC3
Hydrochloric Acid SCHEMBL215304 0.87 MAPK14 (0.34) BACE1MAPTMAPK14LMNAHDAC3
SCHEMBL215315 0.84 ENPP2 (0.36) MAPK14PARP1

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 8 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 claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
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
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 JAK2 1/4885BACE1 4486/4885HTR1A 3143/4885

“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.