SCHEMBL2821272

SCHEMBL2821272

COc1ccc2ncc(C(N)=O)c(Br)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 5/20 0.50
PARP1 P09874 1/20 0.43
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CSF1R P07333 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
EGFR P00533 2/20 0.38
ERBB2 P04626 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGDS O60760 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 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
SCHEMBL2823536 0.87 POLB (0.49) NNMTEGFRERBB2KDM4EPOLB
SCHEMBL3860536 0.86 L3MBTL1 (0.48) NNMTEGFRKDM4EPOLBTDP1
SCHEMBL3272779 0.83 NNMT (0.50) NNMTPARP1MKNK1MKNK2PDE10A
SCHEMBL2951473 0.82 MAPK1 (0.47) KDM4EPOLBTDP1
SCHEMBL5826544 0.78 NNMT (0.54) NNMTPARP1MKNK1MKNK2PDE10A
SCHEMBL2949290 0.78 MAP4K4 (0.41) NNMTPDE10AEGFRMAP4K4PIK3CA
SCHEMBL2040415 0.77 EGFR (0.43) PDE10AEGFRMAP4K4
Hydrochloric Acid SCHEMBL6756852 0.77 NNMT (0.53) NNMTPARP1MKNK1MKNK2PDE10A
SCHEMBL2489719 0.76 EGFR (0.42) PDE10ACSF1REGFRMAP4K4
SCHEMBL14361227 0.76 EGFR (0.41) NNMTPDE10AEGFRKDM4EPOLB

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
EP-2041145-B1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
EP-2041145-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008003690-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2008-01-10 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-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE AADAC, AZI2, NNMT NNMT 3/4885PARP1 270/4885MKNK1 1700/4885

“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.