SCHEMBL863586

SCHEMBL863586

Nc1ncnc2c1c(Cc1cccc(F)c1)nn2C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.64
EGFR P00533 11/20 0.53
ABL1 P00519 10/20 0.53
PIK3CD O00329 9/20 0.53
PIK3CA P42336 9/20 0.53
PIK3CB P42338 9/20 0.53
PIK3CG P48736 9/20 0.53
PRKDC P78527 9/20 0.53
HCK P08631 8/20 0.53
KDR P35968 8/20 0.53
MTOR P42345 8/20 0.53
EPHB4 P54760 8/20 0.53
PI4KB Q9UBF8 5/20 0.53
IGF1R P08069 1/20 0.49
BTK Q06187 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
CSNK1E P49674 1/20 0.48
AKT1 P31749 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
SCHEMBL1318686 0.89 SRC (0.66) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL864574 0.87 SRC (0.64) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL863906 0.87 SRC (0.64) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL20500105 0.87 SRC (0.49) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL20500101 0.85 SRC (0.62) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL864623 0.85 SRC (0.61) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL17090595 0.84 LCK (0.63) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL13019812 0.83 PIK3CD (0.66) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL1317950 0.83 SRC (0.62) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL20500089 0.83 SRC (0.58) SRCEGFRABL1PIK3CDPIK3CA

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-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS PLEXXIKON, INC. 2012-03-29 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 25/4885EGFR 1318/4885ABL1 18/4885

“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.