SCHEMBL215315

SCHEMBL215315

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(N3CCN(CC4CCOC4)CC3)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.36
BRAF P15056 3/20 0.35
MAPK14 Q16539 5/20 0.35
PARP1 P09874 2/20 0.34
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
TTK P33981 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
SCHEMBL214523 0.86 MAPK14 (0.35) BRAFMAPK14
SCHEMBL214920 0.85 MAPK14 (0.42) MAPK14
SCHEMBL214889 0.84 JAK2 (0.39) MAPK14PARP1
SCHEMBL215772 0.84 AURKA (0.35) MAPK14
SCHEMBL214506 0.84 MAPK14 (0.34) MAPK14
SCHEMBL214519 0.84 TBK1 (0.38) MAPK14PARP1PIK3CD
SCHEMBL214177 0.83 MAPK14 (0.37) BRAFMAPK14
Hydrochloric Acid SCHEMBL215304 0.83 MAPK14 (0.34) MAPK14
Acetic Acid SCHEMBL214839 0.83 AURKA (0.34) MAPK14
SCHEMBL215149 0.81 KIT (0.36) MAPK14CTSK

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 6 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
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 ENPP2 474/4885BRAF 300/4885MAPK14 343/4885

“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.