SCHEMBL214177

SCHEMBL214177

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(N3CCN(CCc4ccccc4)CC3)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.37
MAPT P10636 5/20 0.35
RAB9A P51151 2/20 0.35
TSHR P16473 1/20 0.35
HTR1A P08908 7/20 0.35
HTR1D P28221 3/20 0.35
HTR1B P28222 3/20 0.35
KCNH2 Q12809 3/20 0.35
DRD2 P14416 3/20 0.35
HTR7 P34969 2/20 0.35
DRD3 P35462 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A4 P31645 2/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA1A P35348 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
SCHEMBL214889 0.93 JAK2 (0.39) MAPK14MAPTRAB9AHTR1AHTR2A
SCHEMBL215149 0.92 KIT (0.36) MAPK14KCNH2DRD2DRD3CYP3A4
SCHEMBL215772 0.89 AURKA (0.35) MAPK14KCNH2DRD2DRD3HTR2A
SCHEMBL214920 0.89 MAPK14 (0.42) MAPK14KCNH2
Acetic Acid SCHEMBL214839 0.89 AURKA (0.34) MAPK14HTR1AKCNH2DRD2HTR7
SCHEMBL214523 0.88 MAPK14 (0.35) MAPK14MAPTRAB9AKCNH2PTGDR
SCHEMBL214519 0.87 TBK1 (0.38) MAPK14
SCHEMBL214506 0.86 MAPK14 (0.34) MAPK14MAPTRAB9AKCNH2KMT2A
Hydrochloric Acid SCHEMBL215304 0.85 MAPK14 (0.34) MAPK14MAPTRAB9AKCNH2KMT2A
SCHEMBL215315 0.83 ENPP2 (0.36) MAPK14BRAF

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 MAPK14 343/4885MAPT 2138/4885RAB9A 2213/4885

“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.