SCHEMBL863593

SCHEMBL863593

C[C@H](Nc1ccnc2ccnn12)c1cc2cccc(Cl)c2nc1NCCO

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 7/20 0.38
PIK3CD O00329 6/20 0.37
MAPKAPK2 P49137 1/20 0.37
IDH1 O75874 1/20 0.37
PIK3R1 P27986 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
EIF2AK2 P19525 1/20 0.32
GSK3B P49841 1/20 0.32
MERTK Q12866 1/20 0.32
FGFR1 P11362 1/20 0.32
KCNN1 Q92952 1/20 0.32
KCNN2 Q9H2S1 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK14 Q16539 1/20 0.31

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
SCHEMBL863594 1.00 KCNN3 (0.38) KCNN3PIK3CDMAPKAPK2IDH1PIK3R1
SCHEMBL864162 0.88 PIK3CD (0.38) KCNN3PIK3CDPIK3R1KDM4EKCNN1
SCHEMBL864163 0.88 PIK3CD (0.38) KCNN3PIK3CDPIK3R1KDM4EKCNN1
SCHEMBL863650 0.84 IRAK1 (0.39) KCNN3PIK3CDIDH1PIK3R1
SCHEMBL863649 0.84 IRAK1 (0.39) KCNN3PIK3CDIDH1PIK3R1
SCHEMBL864188 0.79 MAPK1 (0.43)
SCHEMBL864189 0.79 MAPK1 (0.43)
SCHEMBL2115716 0.77 PIK3CD (0.35) KCNN3PIK3CDPIK3R1KDM4E
SCHEMBL863343 0.77 KDM4E (0.44) PIK3CDKDM4E
SCHEMBL863344 0.77 KDM4E (0.44) PIK3CDKDM4E

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 KCNN3 1241/4885PIK3CD 14/4885MAPKAPK2 44/4885

“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.