SCHEMBL1779296

SCHEMBL1779296

Cc1cccc(C(=O)Nc2cc(Br)cc3c2cnn3C)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.46
IRAK4 Q9NWZ3 3/20 0.42
P2RX7 Q99572 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
TAS2R8 Q9NYW2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
TYK2 P29597 1/20 0.38

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
SCHEMBL1781443 0.86 GRM5 (0.43) GRM5IRAK4P2RX7MAPTSMN1; SMN2
SCHEMBL1779380 0.78 PIK3CD (0.53) GRM5IRAK4
SCHEMBL2056473 0.76 PIK3CD (0.51) GRM5IRAK4P2RX7
SCHEMBL1779880 0.76 PIK3CD (0.43) TYK2
SCHEMBL1771359 0.76 PIK3CD (0.51) GRM5
SCHEMBL1772142 0.75 IDO1 (0.41) IRAK4IDO1TDO2MAPTSMN1; SMN2
SCHEMBL17441455 0.74 IRAK4 (0.54) IRAK4
SCHEMBL13578040 0.69 HRH3 (0.44) IRAK4IDO1TDO2SMN1; SMN2
SCHEMBL17449317 0.69 IRAK4 (0.50) IRAK4
SCHEMBL31720835 0.69 RAB9A (0.62) GRM5P2RX7MAPTSMN1; SMN2ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 US disclosed
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 US disclosed
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 US disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 US disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 US disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 US disclosed
WO-2009147190-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 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-20110118246-A1 Novel Compounds PIK3CA, PIK3C2B, PIK3CD GRM5 3482/4885IRAK4 1186/4885P2RX7 2152/4885

“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.