SCHEMBL864804

SCHEMBL864804

CC(Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2nc1NCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.49
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AURKB Q96GD4 1/20 0.36
PIK3CG P48736 3/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
ABCB11 O95342 1/20 0.36
TBXA2R P21731 1/20 0.36
PIK3R1 P27986 1/20 0.36
HTR2A P28223 1/20 0.36
PDE3A Q14432 1/20 0.36
IDH1 O75874 1/20 0.36
EGFR P00533 2/20 0.35
CYP3A4 P08684 1/20 0.35
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
LRRK2 Q5S007 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PIK3R2 O00459 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
SCHEMBL864803 1.00 PIK3CD (0.49) PIK3CDAURKARPS6KB1AURKBPIK3CG
SCHEMBL863375 0.89 PIK3CD (0.45) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL864405 0.89 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAPIK3CBABCB11
SCHEMBL863660 0.89 PIK3CD (0.48) PIK3CDAURKARPS6KB1AURKBPIK3CG
SCHEMBL863374 0.89 PIK3CD (0.45) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL863661 0.89 PIK3CD (0.48) PIK3CDAURKARPS6KB1AURKBPIK3CG
SCHEMBL864404 0.89 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAPIK3CBABCB11
SCHEMBL864838 0.89 PIK3CD (0.46) PIK3CDAURKARPS6KB1AURKBPIK3CG
SCHEMBL864839 0.89 PIK3CD (0.46) PIK3CDAURKARPS6KB1AURKBPIK3CG
SCHEMBL864409 0.88 PIK3CD (0.47) PIK3CDAURKARPS6KB1AURKBPIK3CG

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 14/4885AURKA 284/4885RPS6KB1 479/4885

“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.