SCHEMBL863843

SCHEMBL863843

CNC(=O)CN(C)c1nc2c(Cl)cccc2cc1[C@H](C)Nc1ccnc2ccnn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.36
PIK3R1 P27986 1/20 0.36
KCNN3 Q9UGI6 1/20 0.35
MAT2A P31153 1/20 0.34
ADAMTS5 Q9UNA0 3/20 0.33
IDH1 O75874 1/20 0.32
CCNT1 O60563 3/20 0.31
CDK2 P24941 3/20 0.31
CDK9 P50750 3/20 0.31
CCNA1 P78396 3/20 0.31
CDK1 P06493 2/20 0.31
CDK4 P11802 2/20 0.31
CCNA2 P20248 2/20 0.31
CCND1 P24385 2/20 0.31
CCNE1 P24864 2/20 0.31
CDK3 Q00526 2/20 0.31
CDK6 Q00534 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
GPR139 Q6DWJ6 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
SCHEMBL864891 0.77 PIK3CD (0.40) PIK3CDMAT2AADAMTS5IDH1
SCHEMBL863673 0.76 PIK3CD (0.43) PIK3CDADAMTS5IDH1
SCHEMBL863593 0.76 KCNN3 (0.38) PIK3CDPIK3R1KCNN3IDH1CDK1
SCHEMBL863594 0.76 KCNN3 (0.38) PIK3CDPIK3R1KCNN3IDH1CDK1
SCHEMBL2114304 0.76 MALT1 (0.39) KCNN3
Formic Acid SCHEMBL2114890 0.75 PIK3CD (0.40) PIK3CDPIK3R1KCNN3CCNT1CDK2
SCHEMBL864269 0.75 PIK3R2 (0.39) PIK3CDMAT2AIDH1
SCHEMBL864163 0.75 PIK3CD (0.38) PIK3CDPIK3R1KCNN3
SCHEMBL864162 0.75 PIK3CD (0.38) PIK3CDPIK3R1KCNN3
SCHEMBL863864 0.75 PIK3CD (0.45) PIK3CDPIK3R1MAT2A

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 PIK3CD 14/4885PIK3R1 133/4885KCNN3 1241/4885

“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.