SCHEMBL2056473

SCHEMBL2056473

Cc1cccc(C(=O)Nc2cc(-c3cnc(I)c(NS(C)(=O)=O)c3)cc3c2cnn3C)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.51
MAPK10 P53779 1/20 0.40
PIK3R1 P27986 3/20 0.38
GRM5 P41594 2/20 0.36
PIK3CA P42336 2/20 0.36
IRAK4 Q9NWZ3 5/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
CCR4 P51679 1/20 0.34
P2RX7 Q99572 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
SCHEMBL1771359 0.91 PIK3CD (0.51) PIK3CDMAPK10PIK3R1GRM5PIK3CA
SCHEMBL2056476 0.82 PIK3CD (0.58) PIK3CDMAPK10PIK3CAPIK3CBPIK3CG
SCHEMBL1779296 0.76 GRM5 (0.46) GRM5IRAK4P2RX7
SCHEMBL1771747 0.76 PIK3CD (0.56) PIK3CDMAPK10PIK3R1PIK3CAPIK3C3
SCHEMBL1779880 0.74 PIK3CD (0.43) PIK3CDPIK3CAPIK3C3PIK3CBPIK3CG
SCHEMBL2056081 0.74 PIK3CD (0.70) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL1779380 0.74 PIK3CD (0.53) PIK3CDGRM5PIK3CAIRAK4PIK3CB
SCHEMBL1772279 0.73 PIK3CD (0.63) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL1118919 0.72 PIK3CD (0.53) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL1252861 0.72 L3MBTL1 (0.38) PIK3CDPIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US 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-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES CDK3, CDK13, MAP3K13 PIK3CD 111/4885MAPK10 410/4885PIK3R1 415/4885

“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.