SCHEMBL864009

SCHEMBL864009

CC(c1nc(N)nc(N)n1)c1cc2cccc(Cl)c2nc1N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.41
NR4A2 P43354 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
PNMT P11086 1/20 0.35
HSP90AA1 P07900 3/20 0.35
HSP90AB1 P08238 1/20 0.35
DRD2 P14416 3/20 0.34
HTR7 P34969 3/20 0.34
HTR6 P50406 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HTR1A P08908 2/20 0.33
HTR2A P28223 2/20 0.33
DHFR P00374 2/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL863354 0.84 PIK3CD (0.42) PIK3CDNR4A2HSP90AA1HSP90AB1DRD2
SCHEMBL22304003 0.82 PIK3CD (0.42) PIK3CDNR4A2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL863977 0.80 LMNA (0.49) PIK3CDNR4A2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL863976 0.80 LMNA (0.49) PIK3CDNR4A2CYP1A2CYP3A4CYP2D6
SCHEMBL864264 0.78 PIK3CD (0.40) PIK3CDNR4A2DHFR
SCHEMBL717069 0.76 HTR7 (0.38) PIK3CDDRD2HTR7HTR6HTR1A
SCHEMBL713305 0.75 DRD2 (0.38) PIK3CDDRD2HTR7HTR6HTR1A
SCHEMBL713306 0.75 DRD2 (0.38) PIK3CDDRD2HTR7HTR6HTR1A
SCHEMBL720860 0.75 CNR2 (0.41) DRD2HTR7HTR6HTR1AHTR2A
SCHEMBL15875807 0.73 ATR (0.40) PIK3CD

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 14/4885NR4A2 1187/4885CYP1A2 2026/4885

“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.