SCHEMBL869505

SCHEMBL869505

Cn1nc(-c2ccc3c(c2)CCN3)c2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.59
PIK3CA P42336 11/20 0.59
PIK3CB P42338 11/20 0.59
PIK3CG P48736 11/20 0.59
PRKDC P78527 11/20 0.59
ABL1 P00519 9/20 0.59
EGFR P00533 9/20 0.59
HCK P08631 9/20 0.59
SRC P12931 9/20 0.59
MTOR P42345 9/20 0.59
EPHB4 P54760 9/20 0.59
KDR P35968 8/20 0.59
PI4KB Q9UBF8 2/20 0.57
NUDT14 O95848 1/20 0.51
NUDT5 Q9UKK9 1/20 0.51
RIPK1 Q13546 7/20 0.50
RET P07949 1/20 0.47

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
Hydrochloric Acid SCHEMBL868422 0.99 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
Hydrochloric Acid SCHEMBL869499 0.99 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL18874074 0.80 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL868609 0.80 EIF2AK3 (0.52) RIPK1RET
Hydrochloric Acid SCHEMBL869345 0.79 EIF2AK3 (0.52) RIPK1RET
Hydrochloric Acid SCHEMBL868202 0.79 EIF2AK3 (0.52) RIPK1RET
SCHEMBL13828428 0.78 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13828402 0.78 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL12315 0.77 PIK3CD (0.75) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL18195677 0.77 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 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 (2 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R PIK3CD 725/4885PIK3CA 459/4885PIK3CB 935/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R PIK3CD 725/4885PIK3CA 459/4885PIK3CB 935/4885

“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.