SCHEMBL680950

SCHEMBL680950

CC(c1cc2ccccc2nc1N1CCCC1)n1ncc2c(N)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.60
PIK3CD O00329 10/20 0.56
PIK3C2B O00750 2/20 0.52
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NUDT1 P36639 1/20 0.43
SLC2A1 P11166 1/20 0.41
SLC2A2 P11168 1/20 0.41
SLC2A3 P11169 1/20 0.41
BCL2 P10415 2/20 0.40
MCL1 Q07820 2/20 0.40
BCL2A1 Q16548 2/20 0.40
SRC P12931 2/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
HCK P08631 1/20 0.40
KDR P35968 1/20 0.40
PIK3CA P42336 1/20 0.40

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
SCHEMBL681991 0.88 PIK3CG (0.59) PIK3CGPIK3CDPIK3C2BCYP1A2MAPT
SCHEMBL681922 0.81 PIK3CG (0.61) PIK3CGPIK3CDPIK3C2BCYP1A2CYP2C19
SCHEMBL681998 0.81 PIK3CG (0.70) PIK3CGPIK3CDPIK3C2BSRCABL1
SCHEMBL685439 0.79 PIK3CG (0.71) PIK3CGPIK3CDPIK3C2BSRCABL1
SCHEMBL682009 0.79 PIK3CD (0.85) PIK3CGPIK3CDPIK3C2B
SCHEMBL680945 0.76 PIK3CD (0.70) PIK3CGPIK3CDPIK3C2BSRCABL1
SCHEMBL682314 0.75 PIK3CG (1.00) PIK3CGPIK3CDPIK3C2BSRCABL1
SCHEMBL681988 0.73 PIK3CG (0.82) PIK3CGPIK3CDPIK3C2BSRCABL1
SCHEMBL681731 0.72 PIK3CD (1.00) PIK3CGPIK3CDPIK3C2BPIK3CAPIK3CB
SCHEMBL15892694 0.71 PIK3CD (0.86) PIK3CGPIK3CDPIK3C2B

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-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 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-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CG 191/4885PIK3CD 147/4885PIK3C2B 132/4885

“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.