SCHEMBL864024

SCHEMBL864024

C[C@H](Nc1ncnc(N)n1)c1cc2cccc(Cl)c2nc1NCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.45
LMNA P02545 1/20 0.38
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AURKB Q96GD4 1/20 0.35
MAPK14 Q16539 1/20 0.34
FGFR1 P11362 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
EIF2AK2 P19525 1/20 0.34
GSK3B P49841 1/20 0.34
MERTK Q12866 1/20 0.34
IDH1 O75874 1/20 0.33
EGFR P00533 2/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3R2 O00459 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
SCHEMBL864025 1.00 PIK3CD (0.45) PIK3CDLMNAAURKARPS6KB1AURKB
SCHEMBL864030 0.87 PIK3CD (0.46) PIK3CDLMNAAURKARPS6KB1AURKB
SCHEMBL864031 0.87 PIK3CD (0.46) PIK3CDLMNAAURKARPS6KB1AURKB
SCHEMBL864903 0.86 PIK3CD (0.41) PIK3CDMAPK14CDK1CCNB1EIF2AK2
SCHEMBL864902 0.86 PIK3CD (0.41) PIK3CDMAPK14CDK1CCNB1EIF2AK2
SCHEMBL15184786 0.86 PIK3CD (0.49) PIK3CDLMNAAURKARPS6KB1AURKB
SCHEMBL865367 0.85 PIK3CD (0.43) PIK3CDLMNAAURKARPS6KB1AURKB
SCHEMBL865366 0.85 PIK3CD (0.43) PIK3CDLMNAAURKARPS6KB1AURKB
SCHEMBL15184789 0.82 PIK3CD (0.49) PIK3CDLMNAAURKARPS6KB1AURKB
SCHEMBL864804 0.81 PIK3CD (0.49) PIK3CDAURKARPS6KB1AURKBIDH1

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 14/4885LMNA 4619/4885AURKA 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.