SCHEMBL214878

SCHEMBL214878

Cc1ccc(Br)cc1-n1cnc(C(=O)Nc2cc(-c3ccccc3)n[nH]2)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.41
CHEK1 O14757 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
PDGFRA P16234 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39
LIMK1 P53667 1/20 0.39
CDK5 Q00535 1/20 0.39
TYRO3 Q06418 1/20 0.39
MAPK14 Q16539 1/20 0.39
LRRK2 Q5S007 1/20 0.39
AURKB Q96GD4 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL214404 0.81 ATM (0.31)
SCHEMBL214660 0.81 SIK1 (0.33) TP53MAPTKDM4EHPGD
SCHEMBL214742 0.76 CDK2 (0.52) RET
SCHEMBL214864 0.73 JAK2 (0.32)
SCHEMBL2735388 0.73 GAA (0.49) MAPK8ALDH1A1GAAMAPTKDM4E
SCHEMBL215228 0.71 SCN9A (0.44) ALDH1A1GAATP53MAPTKDM4E
SCHEMBL215330 0.70 ALDH1A1 (0.46) LRRK2ALDH1A1MAPTKDM4ELMNA
SCHEMBL215824 0.70 RAB9A (0.41) ALDH1A1GAAMAPTKDM4ELMNA
SCHEMBL213700 0.70 SORT1 (0.46) LRRK2ALDH1A1GAAMAPTKDM4E
SCHEMBL214349 0.70 APEX1 (0.38) MAPK8ALDH1A1TP53MAPTKDM4E

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 MAPK8 647/4885CHEK1 886/4885RET 205/4885

“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.