SCHEMBL865639

SCHEMBL865639

COCCNc1nc2c(C)c(F)ccc2cc1C(C)Nc1ccnc2ccnn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
MAPKAPK2 P49137 4/20 0.34
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
KCNN3 Q9UGI6 1/20 0.31
ALDH1A1 P00352 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CRHR1 P34998 1/20 0.31
PDE4B Q07343 1/20 0.31
IDO1 P14902 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CDK5 Q00535 1/20 0.30

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
SCHEMBL865638 1.00 KDM4E (0.37) KDM4EMAPKAPK2PIK3CDPIK3R1KCNN3
SCHEMBL863558 0.95 MAPKAPK2 (0.35) KDM4EMAPKAPK2PIK3CDPIK3R1KCNN3
SCHEMBL863559 0.95 MAPKAPK2 (0.35) KDM4EMAPKAPK2PIK3CDPIK3R1KCNN3
SCHEMBL863800 0.85 KCNN3 (0.39) KDM4EMAPKAPK2PIK3CDPIK3R1KCNN3
SCHEMBL2114088 0.81 KCNN3 (0.40) MAPKAPK2PIK3CDPIK3R1KCNN3
SCHEMBL864168 0.81 PIK3CD (0.36) PIK3CDPIK3R1KCNN3
SCHEMBL863998 0.81 KCNN3 (0.40) MAPKAPK2PIK3CDPIK3R1KCNN3
SCHEMBL2115344 0.77 OPRK1 (0.38) KDM4EPIK3CDPIK3R1KCNN3ALDH1A1
SCHEMBL2115342 0.77 OPRK1 (0.38) KDM4EPIK3CDPIK3R1KCNN3ALDH1A1
SCHEMBL3714056 0.76 KDM4E (0.37) KDM4EPIK3CDALDH1A1RXFP1CRHR1

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 KDM4E 2074/4885MAPKAPK2 44/4885PIK3CD 14/4885

“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.