SCHEMBL863374

SCHEMBL863374

C[C@H](Nc1nc(N)nc2[nH]cnc12)c1cc2cccc(Cl)c2nc1NCCO

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.45
IDH1 O75874 2/20 0.35
PIK3R1 P27986 3/20 0.33
PIK3CA P42336 3/20 0.33
PIK3CB P42338 3/20 0.33
PIK3CG P48736 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CHUK O15111 1/20 0.33
TLR8 Q9NR97 3/20 0.32
TLR7 Q9NYK1 1/20 0.32
LRRK2 Q5S007 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL863375 1.00 PIK3CD (0.45) PIK3CDIDH1PIK3R1PIK3CAPIK3CB
SCHEMBL863719 0.89 PIK3CD (0.44) PIK3CDIDH1PIK3R1PIK3CAPIK3CB
SCHEMBL863718 0.89 PIK3CD (0.44) PIK3CDIDH1PIK3R1PIK3CAPIK3CB
SCHEMBL864804 0.89 PIK3CD (0.49) PIK3CDIDH1PIK3R1PIK3CAPIK3CB
SCHEMBL864803 0.89 PIK3CD (0.49) PIK3CDIDH1PIK3R1PIK3CAPIK3CB
SCHEMBL864898 0.88 PIK3CD (0.45) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL864899 0.88 PIK3CD (0.45) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15184821 0.85 PIK3CD (0.50) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL863742 0.83 PIK3CD (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL863741 0.83 PIK3CD (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
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 14/4885IDH1 727/4885PIK3R1 133/4885

“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.