SCHEMBL864162

SCHEMBL864162

C[C@H](Nc1ccnc2ccnn12)c1cc2cccc(Cl)c2nc1NCC(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.38
KCNN3 Q9UGI6 8/20 0.37
PIK3R1 P27986 1/20 0.36
KDM4E B2RXH2 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KCNN1 Q92952 1/20 0.31
KCNN2 Q9H2S1 1/20 0.31
PDE10A Q9Y233 1/20 0.31
TNF P01375 1/20 0.31
PIM1 P11309 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
SCHEMBL864163 1.00 PIK3CD (0.38) PIK3CDKCNN3PIK3R1KDM4EIRAK4
SCHEMBL863593 0.88 KCNN3 (0.38) PIK3CDKCNN3PIK3R1KDM4EKCNN1
SCHEMBL863594 0.88 KCNN3 (0.38) PIK3CDKCNN3PIK3R1KDM4EKCNN1
SCHEMBL863650 0.79 IRAK1 (0.39) PIK3CDKCNN3PIK3R1IRAK4
SCHEMBL863649 0.79 IRAK1 (0.39) PIK3CDKCNN3PIK3R1IRAK4
SCHEMBL864458 0.76 MAP4K4 (0.44) PIK3CD
SCHEMBL864459 0.76 MAP4K4 (0.44) PIK3CD
SCHEMBL864075 0.76 PIK3CD (0.41) PIK3CDKDM4ETNF
SCHEMBL864074 0.76 PIK3CD (0.41) PIK3CDKDM4ETNF
SCHEMBL2115716 0.76 PIK3CD (0.35) PIK3CDKCNN3PIK3R1KDM4E

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 14/4885KCNN3 1241/4885PIK3R1 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.