SCHEMBL863937

SCHEMBL863937

C[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2nc1NCC(C)(C)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.49
PIK3CG P48736 2/20 0.49
PIK3R2 O00459 4/20 0.42
EGFR P00533 3/20 0.36
KRAS P01116 2/20 0.36
SOS1 Q07889 1/20 0.36
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AURKB Q96GD4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL863938 1.00 PIK3CD (0.49) PIK3CDPIK3CGPIK3R2EGFRKRAS
SCHEMBL864936 0.84 PIK3CD (0.50) PIK3CDPIK3CGPIK3R2EGFRKRAS
SCHEMBL864937 0.84 PIK3CD (0.50) PIK3CDPIK3CGPIK3R2EGFRKRAS
SCHEMBL865182 0.81 PIK3CD (0.51) PIK3CDPIK3CGPIK3R2EGFRKRAS
SCHEMBL865181 0.81 PIK3CD (0.51) PIK3CDPIK3CGPIK3R2EGFRKRAS
SCHEMBL864074 0.81 PIK3CD (0.41) PIK3CDPIK3CGEGFRKRASSOS1
SCHEMBL864075 0.81 PIK3CD (0.41) PIK3CDPIK3CGEGFRKRASSOS1
SCHEMBL863479 0.81 RAB9A (0.45) PIK3CDEGFRAURKARPS6KB1AURKB
SCHEMBL863478 0.81 RAB9A (0.45) PIK3CDEGFRAURKARPS6KB1AURKB
SCHEMBL864031 0.80 PIK3CD (0.46) PIK3CDPIK3CGEGFRKRASSOS1

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 14/4885PIK3CG 21/4885PIK3R2 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.