SCHEMBL864902

SCHEMBL864902

Cc1nc(N)nc(N[C@@H](C)c2cc3cccc(Cl)c3nc2NCCO)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.41
PIK3R2 O00459 1/20 0.38
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HTR7 P34969 3/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
IDH1 O75874 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
NR4A2 P43354 1/20 0.33
MAPK14 Q16539 1/20 0.33
NTRK1 P04629 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
EIF2AK2 P19525 1/20 0.32
GSK3B P49841 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
SCHEMBL864903 1.00 PIK3CD (0.41) PIK3CDPIK3R2KMT2AMEN1TAAR1
SCHEMBL863392 0.87 PIK3CD (0.42) PIK3CDPIK3R2KMT2AMEN1HTR7
SCHEMBL863393 0.87 PIK3CD (0.42) PIK3CDPIK3R2KMT2AMEN1HTR7
SCHEMBL864025 0.86 PIK3CD (0.45) PIK3CDPIK3R2KMT2ATAAR1IDH1
SCHEMBL864024 0.86 PIK3CD (0.45) PIK3CDPIK3R2KMT2ATAAR1IDH1
SCHEMBL15184811 0.86 PIK3CD (0.45) PIK3CDPIK3R2KMT2AMEN1NR4A2
SCHEMBL864792 0.86 PIK3CD (0.45) PIK3CDPIK3R2KMT2AMEN1NR4A2
SCHEMBL864066 0.85 PIK3CD (0.39) PIK3CDPIK3R2KMT2AMEN1
SCHEMBL864067 0.85 PIK3CD (0.39) PIK3CDPIK3R2KMT2AMEN1
SCHEMBL863374 0.80 PIK3CD (0.45) PIK3CDCYP2D6CYP2C19IDH1KDM4E

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 14/4885PIK3R2 131/4885KMT2A 2560/4885

“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.