SCHEMBL680945

SCHEMBL680945

CC(c1cc2ccccc2nc1N1CCCC1)n1nc(C#C[C@@H](C)O)c2c(N)ncnc21

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.70
PIK3CG P48736 6/20 0.66
PIK3C2B O00750 2/20 0.58
ABL1 P00519 7/20 0.43
RET P07949 3/20 0.43
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
EGFR P00533 1/20 0.41
HCK P08631 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
MTOR P42345 1/20 0.41
EPHB4 P54760 1/20 0.41
PRKDC P78527 1/20 0.41

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
SCHEMBL681919 0.90 PIK3CD (0.69) PIK3CDPIK3CGPIK3C2BABL1RET
SCHEMBL685439 0.85 PIK3CG (0.71) PIK3CDPIK3CGPIK3C2BABL1PIK3CA
SCHEMBL682358 0.84 PIK3CG (0.67) PIK3CDPIK3CGPIK3C2BABL1RET
SCHEMBL681998 0.83 PIK3CG (0.70) PIK3CDPIK3CGPIK3C2BABL1PIK3CA
SCHEMBL681700 0.83 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2BPIK3CAPIK3CB
SCHEMBL682314 0.79 PIK3CG (1.00) PIK3CDPIK3CGPIK3C2BABL1PIK3CA
SCHEMBL682384 0.78 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2BABL1RET
SCHEMBL681988 0.78 PIK3CG (0.82) PIK3CDPIK3CGPIK3C2BABL1PIK3CA
SCHEMBL680957 0.76 PIK3CD (0.88) PIK3CDPIK3CGPIK3C2BPIK3CAPIK3CB
SCHEMBL680950 0.76 PIK3CG (0.60) PIK3CDPIK3CGPIK3C2BABL1PIK3CA

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 10 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

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.