SCHEMBL865522

SCHEMBL865522

CNC(=O)CN(C)c1nc2c(Cl)cccc2cc1[C@H](C)Nc1nc(N)nc2[nH]cnc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.41
MAT2A P31153 1/20 0.32
PIK3R2 O00459 3/20 0.31
PIK3CG P48736 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IDH1 O75874 1/20 0.30

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
SCHEMBL863864 0.90 PIK3CD (0.45) PIK3CDMAT2APIK3R2PIK3CGL3MBTL1
SCHEMBL864891 0.81 PIK3CD (0.40) PIK3CDMAT2AIDH1
SCHEMBL864269 0.81 PIK3R2 (0.39) PIK3CDMAT2APIK3R2IDH1
SCHEMBL15184821 0.80 PIK3CD (0.50) PIK3CDPIK3R2PIK3CG
SCHEMBL863375 0.77 PIK3CD (0.45) PIK3CDPIK3CGIDH1
SCHEMBL863374 0.77 PIK3CD (0.45) PIK3CDPIK3CGIDH1
SCHEMBL863673 0.77 PIK3CD (0.43) PIK3CDPIK3R2PIK3CGL3MBTL1IDH1
SCHEMBL865314 0.76 RAB9A (0.42) PIK3CD
SCHEMBL864898 0.76 PIK3CD (0.45) PIK3CDPIK3R2PIK3CG
SCHEMBL864899 0.76 PIK3CD (0.45) PIK3CDPIK3R2PIK3CG

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-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA PIK3CD 14/4885MAT2A 4165/4885PIK3R2 131/4885

“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.