SCHEMBL863673

SCHEMBL863673

CNC(=O)CN(C)c1nc2c(Cl)cccc2cc1[C@H](C)Nc1ncnc2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.43
PIK3CG P48736 2/20 0.43
PIK3R2 O00459 3/20 0.41
ERBB2 P04626 2/20 0.36
ADAMTS5 Q9UNA0 2/20 0.35
PKM P14618 1/20 0.34
IDH1 O75874 1/20 0.34
EGFR P00533 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNH2 Q12809 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
SCHEMBL863864 0.85 PIK3CD (0.45) PIK3CDPIK3CGPIK3R2ERBB2L3MBTL1
SCHEMBL865314 0.82 RAB9A (0.42) PIK3CDERBB2EGFRNPC1RAB9A
SCHEMBL864891 0.81 PIK3CD (0.40) PIK3CDERBB2ADAMTS5IDH1
SCHEMBL14481241 0.79 PIK3CD (0.44) PIK3CDPIK3CGPIK3R2ERBB2EGFR
SCHEMBL865181 0.78 PIK3CD (0.51) PIK3CDPIK3CGPIK3R2EGFR
SCHEMBL865182 0.78 PIK3CD (0.51) PIK3CDPIK3CGPIK3R2EGFR
SCHEMBL865522 0.77 PIK3CD (0.41) PIK3CDPIK3CGPIK3R2IDH1L3MBTL1
Formic Acid SCHEMBL863790 0.77 PIK3CD (0.41) PIK3CDPIK3CGPIK3R2
SCHEMBL14481069 0.77 PIK3CD (0.43) PIK3CDPIK3CGPIK3R2
SCHEMBL863843 0.76 PIK3CD (0.36) PIK3CDADAMTS5IDH1

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 21/4885PIK3R2 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.