SCHEMBL214519

SCHEMBL214519

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(N3CCN(Cc4ccncc4)CC3)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 12/20 0.38
CCR5 P51681 1/20 0.36
PARP1 P09874 5/20 0.35
IKBKE Q14164 5/20 0.35
PIK3CD O00329 1/20 0.34
TNKS O95271 1/20 0.33
PARP6 Q2NL67 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
MAPK14 Q16539 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
SCHEMBL214889 0.94 JAK2 (0.39) TBK1CCR5PARP1MAPK14
SCHEMBL214523 0.89 MAPK14 (0.35) MAPK14
SCHEMBL214920 0.88 MAPK14 (0.42) MAPK14
SCHEMBL214177 0.87 MAPK14 (0.37) MAPK14
SCHEMBL215772 0.87 AURKA (0.35) MAPK14
SCHEMBL214506 0.87 MAPK14 (0.34) MAPK14
Hydrochloric Acid SCHEMBL215304 0.86 MAPK14 (0.34) MAPK14
Acetic Acid SCHEMBL214839 0.85 AURKA (0.34) MAPK14
SCHEMBL215149 0.85 KIT (0.36) MAPK14
SCHEMBL215315 0.84 ENPP2 (0.36) PARP1PIK3CDMAPK14

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 TBK1 172/4885CCR5 553/4885PARP1 3502/4885

“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.