SCHEMBL863742

SCHEMBL863742

CC(Nc1nc(N)nc2[nH]cnc12)c1cc2cccc(Cl)c2nc1NCCN1CCNC1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.41
IRAK1 P51617 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PIK3CG P48736 8/20 0.33
PIK3R2 O00459 8/20 0.33
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
ABCB11 O95342 1/20 0.32
TBXA2R P21731 1/20 0.32
HTR2A P28223 1/20 0.32
PDE3A Q14432 1/20 0.32
SCN9A Q15858 1/20 0.32
BRAF P15056 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
SCHEMBL863741 1.00 PIK3CD (0.41) PIK3CDIRAK1IRAK4ADORA2AADORA1
SCHEMBL865449 0.91 PIK3CD (0.43) PIK3CDIRAK1IRAK4ADORA2AADORA1
SCHEMBL865448 0.91 PIK3CD (0.43) PIK3CDIRAK1IRAK4ADORA2AADORA1
SCHEMBL863374 0.83 PIK3CD (0.45) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL863375 0.83 PIK3CD (0.45) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL863553 0.80 PIK3CD (0.49) PIK3CDIRAK1IRAK4ADORA2AADORA1
SCHEMBL863554 0.80 PIK3CD (0.49) PIK3CDIRAK1IRAK4ADORA2AADORA1
SCHEMBL865201 0.79 IRAK1 (0.39) PIK3CDIRAK1IRAK4ADORA2AADORA1
SCHEMBL865200 0.79 IRAK1 (0.39) PIK3CDIRAK1IRAK4ADORA2AADORA1
SCHEMBL864019 0.79 PIK3CD (0.40) PIK3CDIRAK1IRAK4

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 14/4885IRAK1 109/4885IRAK4 107/4885

“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.