SCHEMBL680957

SCHEMBL680957

C[C@@H](O)C#Cc1nn(Cc2cc3ccccc3nc2N2CCN(C)CC2)c2ncnc(N)c12

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.88
PIK3C2B O00750 9/20 0.65
PIK3CG P48736 7/20 0.59
PIK3CA P42336 2/20 0.59
PIK3CB P42338 2/20 0.59

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
SCHEMBL681700 0.94 PIK3CD (1.00) PIK3CDPIK3C2BPIK3CGPIK3CAPIK3CB
SCHEMBL18034005 0.86 PIK3CD (0.75) PIK3CDPIK3C2BPIK3CGPIK3CAPIK3CB
SCHEMBL681698 0.82 PIK3CD (1.00) PIK3CDPIK3C2BPIK3CGPIK3CAPIK3CB
SCHEMBL682384 0.81 PIK3CD (1.00) PIK3CDPIK3C2BPIK3CGPIK3CAPIK3CB
SCHEMBL17830407 0.81 PIK3CD (0.80) PIK3CDPIK3C2BPIK3CG
SCHEMBL681917 0.80 PIK3CD (0.79) PIK3CDPIK3C2BPIK3CG
SCHEMBL685506 0.79 PIK3CD (0.75) PIK3CDPIK3C2BPIK3CGPIK3CAPIK3CB
SCHEMBL681984 0.79 PIK3CD (0.77) PIK3CDPIK3C2BPIK3CG
SCHEMBL681993 0.78 PIK3C2B (1.00) PIK3CDPIK3C2BPIK3CGPIK3CAPIK3CB
SCHEMBL681997 0.78 PIK3CD (1.00) PIK3CDPIK3C2BPIK3CG

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 9 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
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 147/4885PIK3C2B 132/4885PIK3CG 191/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885PIK3C2B 132/4885PIK3CG 191/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885PIK3C2B 132/4885PIK3CG 191/4885

“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.