SCHEMBL864898

SCHEMBL864898

C[C@H](Nc1nc(N)nc2[nH]cnc12)c1cc2cccc(Cl)c2nc1NCC(C)(C)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.45
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
TNF P01375 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SOS1 Q07889 1/20 0.30
PIK3R2 O00459 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
SCHEMBL864899 1.00 PIK3CD (0.45) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL864936 0.90 PIK3CD (0.50) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL864937 0.90 PIK3CD (0.50) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL863375 0.88 PIK3CD (0.45) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL863374 0.88 PIK3CD (0.45) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15184821 0.83 PIK3CD (0.50) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL864030 0.80 PIK3CD (0.46) PIK3CDPIK3CGTNFKDM4ESOS1
SCHEMBL863392 0.80 PIK3CD (0.42) PIK3CDKDM4ESOS1PIK3R2
SCHEMBL864031 0.80 PIK3CD (0.46) PIK3CDPIK3CGTNFKDM4ESOS1
SCHEMBL863393 0.80 PIK3CD (0.42) PIK3CDKDM4ESOS1PIK3R2

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 14/4885PIK3R1 133/4885PIK3CA 3/4885

“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.