SCHEMBL682016

SCHEMBL682016

Nc1ncnc2c1c(I)nn2Cc1nc2ccccc2nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.53
PIK3CD O00329 9/20 0.52
PRKDC P78527 3/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
SRC P12931 2/20 0.41
KDR P35968 2/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
HCK P08631 1/20 0.41
MTOR P42345 1/20 0.41
EPHB4 P54760 1/20 0.41
PIK3C2B O00750 2/20 0.40
BTK Q06187 1/20 0.39
ADK P55263 1/20 0.39
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
DYRK3 O43781 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39

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
SCHEMBL681085 0.83 PIK3CG (0.69) PIK3CGPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL681842 0.81 PIK3CG (0.67) PIK3CGPIK3CDPIK3C2BMAPK1
SCHEMBL1598104 0.80 PIK3CD (0.61) PIK3CGPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL15895177 0.79 PIK3CG (0.49) PIK3CGPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL681863 0.78 PIK3CD (0.54) PIK3CGPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL15892708 0.78 PIK3CD (0.52) PIK3CGPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL1598125 0.78 PIK3CD (0.66) PIK3CGPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL794886 0.77 PIK3CG (0.75) PIK3CGPIK3CDPIK3C2B
SCHEMBL1598342 0.77 PIK3CD (0.58) PIK3CGPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL1598996 0.77 PIK3CD (0.72) PIK3CGPIK3CDPRKDCPIK3CAPIK3CB

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 PIK3CG 191/4885PIK3CD 147/4885PRKDC 33/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CG 191/4885PIK3CD 147/4885PRKDC 33/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CG 191/4885PIK3CD 147/4885PRKDC 33/4885

“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.