SCHEMBL863853

SCHEMBL863853

COc1cccc(Cc2nn(C3CCCC3)c3ncnc(N)c23)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 0.53
ABL1 P00519 13/20 0.53
EGFR P00533 13/20 0.52
PIK3CD O00329 12/20 0.52
PIK3CA P42336 12/20 0.52
PIK3CB P42338 12/20 0.52
PIK3CG P48736 12/20 0.52
PRKDC P78527 12/20 0.52
HCK P08631 11/20 0.52
KDR P35968 11/20 0.52
MTOR P42345 11/20 0.52
EPHB4 P54760 11/20 0.52
PI4KB Q9UBF8 9/20 0.52
BTK Q06187 2/20 0.48
LCK P06239 1/20 0.48
LYN P07948 1/20 0.48
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CSNK1E P49674 1/20 0.47
RET P07949 1/20 0.46

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
SCHEMBL864904 0.88 SRC (0.54) SRCABL1EGFRPIK3CDPIK3CA
SCHEMBL863874 0.86 SRC (0.53) SRCABL1EGFRPIK3CDPIK3CA
SCHEMBL863358 0.86 SRC (0.52) SRCABL1EGFRPIK3CDPIK3CA
SCHEMBL864623 0.82 SRC (0.61) SRCABL1EGFRPIK3CDPIK3CA
SCHEMBL29390673 0.78 SRC (0.79) SRCABL1EGFRPIK3CDPIK3CA
SCHEMBL864574 0.78 SRC (0.64) SRCABL1EGFRPIK3CDPIK3CA
SCHEMBL12436140 0.78 SRC (0.79) SRCABL1EGFRPIK3CDPIK3CA
SCHEMBL1318686 0.78 SRC (0.66) SRCABL1EGFRPIK3CDPIK3CA
SCHEMBL12436038 0.77 SRC (0.77) SRCABL1EGFRPIK3CDPIK3CA
SCHEMBL20744753 0.77 CSNK1A1 (0.47) SRCABL1EGFRPIK3CDPIK3CA

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
US-8642606-B2 ZAP-70 active compounds PLEXXIKON INC. (US) 2014-02-04 US claimed
US-8642606-B2 ZAP-70 active compounds PLEXXIKON INC. (US) 2014-02-04 US disclosed
US-8642606-B2 ZAP-70 active compounds PLEXXIKON INC. (US) 2014-02-04 US disclosed
US-8642606-B2 ZAP-70 active compounds PLEXXIKON INC. (US) 2014-02-04 US disclosed
US-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS PLEXXIKON, INC. 2012-03-29 US disclosed
US-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS PLEXXIKON, INC. 2012-03-29 US disclosed
US-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS PLEXXIKON, INC. 2012-03-29 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 (1 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-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS ZAP70, PRKCZ, PRKDC SRC 25/4885ABL1 18/4885EGFR 1318/4885

“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.