SCHEMBL863494

SCHEMBL863494

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2nc1NC[C@@H]1CCC(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.44
CD274 Q9NZQ7 13/20 0.38
PDCD1LG2 Q9BQ51 9/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
IRAK1 P51617 1/20 0.35
PIK3CG P48736 2/20 0.35
ABCB11 O95342 1/20 0.35
TBXA2R P21731 1/20 0.35
PIK3R1 P27986 1/20 0.35
HTR2A P28223 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PDE3A Q14432 1/20 0.35
PDCD1 Q15116 4/20 0.35

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
SCHEMBL863495 1.00 PIK3CD (0.44) PIK3CDCD274PDCD1LG2IRAK4IRAK1
SCHEMBL864020 0.91 PIK3CD (0.40) PIK3CDCD274PDCD1LG2IRAK4IRAK1
SCHEMBL864019 0.91 PIK3CD (0.40) PIK3CDCD274PDCD1LG2IRAK4IRAK1
SCHEMBL863918 0.87 PIK3CD (0.46) PIK3CDCD274PDCD1LG2IRAK4PIK3CG
SCHEMBL863919 0.87 PIK3CD (0.46) PIK3CDCD274PDCD1LG2IRAK4PIK3CG
SCHEMBL863379 0.82 PIK3CD (0.44) PIK3CDIRAK4IRAK1PIK3CGABCB11
SCHEMBL863378 0.82 PIK3CD (0.44) PIK3CDIRAK4IRAK1PIK3CGABCB11
SCHEMBL865004 0.82 MAP4K4 (0.39) PIK3CDCD274PDCD1LG2IRAK4IRAK1
SCHEMBL865005 0.82 MAP4K4 (0.39) PIK3CDCD274PDCD1LG2IRAK4IRAK1
SCHEMBL864023 0.82 CD274 (0.46) CD274PDCD1LG2IRAK4IRAK1PDCD1

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 14/4885CD274 2278/4885PDCD1LG2 1407/4885

“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.