SCHEMBL850318

SCHEMBL850318

CC(C)n1ncc2c(S)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
PIK3CD O00329 5/20 0.38
PIK3CA P42336 5/20 0.38
PIK3CB P42338 5/20 0.38
MTOR P42345 5/20 0.38
PIK3CG P48736 5/20 0.38
PI4KB Q9UBF8 4/20 0.38
KDM4E B2RXH2 4/20 0.38
ABL1 P00519 4/20 0.38
EGFR P00533 4/20 0.38
HCK P08631 4/20 0.38
SRC P12931 4/20 0.38
KDR P35968 4/20 0.38
EPHB4 P54760 4/20 0.38
PRKDC P78527 4/20 0.38
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 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
SCHEMBL24393328 0.81 GSK3B (0.39) GSK3BPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL839258 0.80 GSK3B (0.38) GSK3BPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL12206789 0.80 PI4KB (0.61) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL15079234 0.80 KDM4E (0.40) GSK3BPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL24393418 0.77 TP53 (0.49) GSK3BPIK3CDPIK3CBPIK3CGKDM4E
SCHEMBL24175519 0.77 GSK3B (0.37) GSK3BPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL11617335 0.75 SMN1; SMN2 (0.41) GSK3BPIK3CDPIK3CAPIK3CBMTOR
SCHEMBL25237125 0.75 PI4KA (0.63) PI4KBKDM4EPI4KAPI4K2BPI4K2A
SCHEMBL13057346 0.72 TP53 (0.52) KDM4EABL1SRCNPC1RAB9A
SCHEMBL13057340 0.70 TP53 (0.59) KDM4EABL1SRCNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 GSK3B 1784/4885PIK3CD 2229/4885PIK3CA 2003/4885

“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.