SCHEMBL864168

SCHEMBL864168

Cc1c(F)ccc2cc([C@H](C)Nc3ccnc4ccnn34)c(N)nc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
KCNN3 Q9UGI6 1/20 0.35
PDE2A O00408 2/20 0.32
CCNT1 O60563 3/20 0.31
CDK9 P50750 3/20 0.31
AAK1 Q2M2I8 1/20 0.31
IDH1 O75874 2/20 0.30
CDK4 P11802 2/20 0.30
CCND1 P24385 2/20 0.30
CDK7 P50613 2/20 0.30
CCNH P51946 2/20 0.30
KDR P35968 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
SCHEMBL863998 0.88 KCNN3 (0.40) PIK3CDPIK3R1KCNN3PDE2ACCNT1
SCHEMBL2114088 0.88 KCNN3 (0.40) PIK3CDPIK3R1KCNN3PDE2ACCNT1
SCHEMBL2115344 0.84 OPRK1 (0.38) PIK3CDPIK3R1KCNN3CCNT1CDK9
SCHEMBL2115342 0.84 OPRK1 (0.38) PIK3CDPIK3R1KCNN3CCNT1CDK9
SCHEMBL863800 0.82 KCNN3 (0.39) PIK3CDPIK3R1KCNN3
SCHEMBL2116488 0.81 IDH1 (0.43) PIK3CDPIK3R1IDH1
SCHEMBL2115816 0.81 IDH1 (0.38) PIK3CDPIK3R1KCNN3IDH1
SCHEMBL865639 0.81 KDM4E (0.37) PIK3CDPIK3R1KCNN3
SCHEMBL865638 0.81 KDM4E (0.37) PIK3CDPIK3R1KCNN3
SCHEMBL2114085 0.80 OPRK1 (0.34) PIK3CDPIK3R1CCNT1CDK9

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.