SCHEMBL864209

SCHEMBL864209

COCCNc1nc2c(C)c(F)ccc2cc1C(C)n1cnc2c(N)nc(N)nc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
CDK5 Q00535 13/20 0.41
CDK5R1 Q15078 13/20 0.41
CDK1 P06493 9/20 0.40
CCNB1 P14635 9/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCNB2 O95067 8/20 0.39
CCNB3 Q8WWL7 8/20 0.39
CRHR1 P34998 1/20 0.35
PDE8A O60658 3/20 0.35
PDE2A O00408 1/20 0.35
PDE4D Q08499 1/20 0.35
KCNH2 Q12809 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL3714056 0.78 KDM4E (0.37) PIK3CDCDK5CDK5R1CRHR1
SCHEMBL3714054 0.78 KDM4E (0.37) PIK3CDCDK5CDK5R1CRHR1
SCHEMBL864208 0.78 TLR8 (0.33) PIK3CD
SCHEMBL864178 0.74 HTR7 (0.39) PIK3CDCRHR1
SCHEMBL15184778 0.74 HTR7 (0.39) PIK3CDCRHR1
SCHEMBL864207 0.73 ALDH1A1 (0.38) PIK3CDCRHR1
SCHEMBL15184782 0.73 KDM4E (0.35) PIK3CDCRHR1
SCHEMBL863915 0.71 CDK5 (0.39) CDK5CDK5R1CDK1CCNB1CCNB2
SCHEMBL864127 0.70 HTR7 (0.38) PIK3CDCRHR1
SCHEMBL15184770 0.70 HTR7 (0.38) PIK3CDCRHR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 14/4885CDK5 92/4885CDK5R1 254/4885

“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.