SCHEMBL863997

SCHEMBL863997

CC(Nc1ccnc2ccnn12)c1cc2ccc(F)cc2nc1NCCN1CCNC1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
SCN9A Q15858 10/20 0.36
PIK3CD O00329 2/20 0.34
PIK3R1 P27986 1/20 0.34
HPGDS O60760 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
KDM4E B2RXH2 1/20 0.33
IDH1 O75874 2/20 0.33
DPP4 P27487 1/20 0.33
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 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
SCHEMBL863996 1.00 IRAK1 (0.36) IRAK1IRAK4SCN9APIK3CDPIK3R1
SCHEMBL863650 0.82 IRAK1 (0.39) IRAK1IRAK4SCN9APIK3CDPIK3R1
SCHEMBL863649 0.82 IRAK1 (0.39) IRAK1IRAK4SCN9APIK3CDPIK3R1
SCHEMBL2113563 0.79 DPP4 (0.36) SCN9APIK3CDPIK3R1KDM4EIDH1
SCHEMBL2113571 0.79 DPP4 (0.36) SCN9APIK3CDPIK3R1KDM4EIDH1
SCHEMBL2118050 0.74 KRAS (0.39) KDM4E
SCHEMBL2118042 0.74 KRAS (0.39) KDM4E
SCHEMBL865373 0.71 IRAK1 (0.39) IRAK1IRAK4SCN9APIK3CDADORA2A
SCHEMBL865372 0.71 IRAK1 (0.39) IRAK1IRAK4SCN9APIK3CDADORA2A
SCHEMBL2115845 0.69 DPP4 (0.35) PIK3CDPIK3R1KDM4EIDH1DPP4

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 IRAK1 109/4885IRAK4 107/4885SCN9A 3126/4885

“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.