SCHEMBL864264

SCHEMBL864264

CC(c1nc2c(N)nc(N)nc2[nH]1)c1cc2cccc(Cl)c2nc1N

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.40
DHFR P00374 1/20 0.36
EGFR P00533 2/20 0.34
KDR P35968 1/20 0.34
PDGFRB P09619 1/20 0.31
NR4A2 P43354 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
SCHEMBL864009 0.78 PIK3CD (0.41) PIK3CDDHFRNR4A2
SCHEMBL22304003 0.74 PIK3CD (0.42) PIK3CDNR4A2
Hydrochloric Acid SCHEMBL863977 0.72 LMNA (0.49) PIK3CDNR4A2
Hydrochloric Acid SCHEMBL863976 0.72 LMNA (0.49) PIK3CDNR4A2
SCHEMBL864265 0.70 CDK1 (0.52) PIK3CD
SCHEMBL15184821 0.70 PIK3CD (0.50) PIK3CDEGFRKDR
SCHEMBL863354 0.67 PIK3CD (0.42) PIK3CDEGFRKDRNR4A2
SCHEMBL15184789 0.67 PIK3CD (0.49) PIK3CDKDR
SCHEMBL4177989 0.65 PIK3CD (0.44) PIK3CDEGFRKDR
SCHEMBL10251857 0.65 PIK3CD (0.44) PIK3CDNR4A2

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 14/4885DHFR 1615/4885EGFR 3185/4885

“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.