SCHEMBL682009

SCHEMBL682009

CC(c1cc2ccccc2nc1N1CCCC1)n1cnc2c(N)ncnc21

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.85
PIK3CG P48736 3/20 0.56
PIK3C2B O00750 1/20 0.49
ADORA2A P29274 2/20 0.45
ADORA2B P29275 2/20 0.45
ADORA1 P30542 2/20 0.45
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
PIK3R1 P27986 2/20 0.44

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
SCHEMBL681731 0.92 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2BADORA2AADORA2B
SCHEMBL15892694 0.87 PIK3CD (0.86) PIK3CDPIK3CGPIK3C2BADORA2AADORA2B
SCHEMBL682010 0.82 PIK3CD (0.67) PIK3CDPIK3CGADORA2AADORA2BADORA1
SCHEMBL681856 0.81 PIK3CD (0.65) PIK3CDPIK3CGADORA2AADORA2BADORA1
SCHEMBL681732 0.80 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2BADORA2AADORA2B
SCHEMBL680950 0.79 PIK3CG (0.60) PIK3CDPIK3CGPIK3C2B
SCHEMBL681998 0.78 PIK3CG (0.70) PIK3CDPIK3CGPIK3C2B
SCHEMBL685439 0.76 PIK3CG (0.71) PIK3CDPIK3CGPIK3C2B
SCHEMBL2354805 0.74 PIK3CD (0.60) PIK3CDPIK3CGPIK3C2BADORA2A
SCHEMBL680945 0.73 PIK3CD (0.70) PIK3CDPIK3CGPIK3C2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
EP-2346508-B1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2016-08-24 EP disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
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 (3 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-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885PIK3CG 191/4885PIK3C2B 132/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885PIK3CG 191/4885PIK3C2B 132/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885PIK3CG 191/4885PIK3C2B 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.