SCHEMBL864937

SCHEMBL864937

CC(Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2nc1NCC(C)(C)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.50
PIK3CG P48736 4/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AURKB Q96GD4 1/20 0.35
PIK3R1 P27986 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
ABCB11 O95342 1/20 0.35
TBXA2R P21731 1/20 0.35
HTR2A P28223 1/20 0.35
PDE3A Q14432 1/20 0.35
EGFR P00533 2/20 0.35
PIK3R2 O00459 2/20 0.33
KRAS P01116 2/20 0.32
SOS1 Q07889 1/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
TNF P01375 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
SCHEMBL864936 1.00 PIK3CD (0.50) PIK3CDPIK3CGAURKARPS6KB1AURKB
SCHEMBL864898 0.90 PIK3CD (0.45) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL864899 0.90 PIK3CD (0.45) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL864803 0.87 PIK3CD (0.49) PIK3CDPIK3CGAURKARPS6KB1AURKB
SCHEMBL864804 0.87 PIK3CD (0.49) PIK3CDPIK3CGAURKARPS6KB1AURKB
SCHEMBL863563 0.86 PIK3CD (0.48) PIK3CDPIK3CGAURKARPS6KB1AURKB
SCHEMBL863564 0.86 PIK3CD (0.48) PIK3CDPIK3CGAURKARPS6KB1AURKB
SCHEMBL864409 0.85 PIK3CD (0.47) PIK3CDPIK3CGAURKARPS6KB1AURKB
SCHEMBL863613 0.85 PIK3CD (0.47) PIK3CDPIK3CGAURKARPS6KB1AURKB
SCHEMBL863612 0.85 PIK3CD (0.47) PIK3CDPIK3CGAURKARPS6KB1AURKB

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 14/4885PIK3CG 21/4885AURKA 284/4885

“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.