SCHEMBL3137418

SCHEMBL3137418

CC(=O)Nc1cn2nc(-c3cnc(N)c(C(=O)O)c3)ccc2n1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.74
RIPK1 Q13546 15/20 0.56
PIK3CD O00329 1/20 0.54
AKT1 P31749 1/20 0.54
PIK3CB P42338 1/20 0.54
MTOR P42345 1/20 0.54
PIK3CG P48736 1/20 0.54

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
SCHEMBL13415432 0.91 PIK3CA (0.77) PIK3CARIPK1
SCHEMBL22371004 0.88 RIPK1 (0.66) PIK3CARIPK1
SCHEMBL30468332 0.88 RIPK1 (0.66) PIK3CARIPK1
SCHEMBL22371025 0.87 RIPK1 (0.66) PIK3CARIPK1PIK3CDAKT1PIK3CB
SCHEMBL30468347 0.87 RIPK1 (0.66) PIK3CARIPK1PIK3CDAKT1PIK3CB
SCHEMBL3140684 0.87 PIK3CA (0.74) PIK3CARIPK1PIK3CDAKT1PIK3CB
SCHEMBL3131524 0.86 PIK3CA (0.66) PIK3CARIPK1
SCHEMBL3146333 0.86 PIK3CA (0.66) PIK3CARIPK1
SCHEMBL3136501 0.85 PIK3CA (0.72) PIK3CARIPK1PIK3CDAKT1PIK3CB
SCHEMBL3131527 0.85 PIK3CA (1.00) PIK3CARIPK1PIK3CDPIK3CG

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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885RIPK1 678/4885PIK3CD 2/4885

“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.