SCHEMBL863781

SCHEMBL863781

COc1cccc(C(=O)c2nn(C3CCCC3)c3ncnc(N)c23)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 12/20 0.55
ITK Q08881 2/20 0.53
ABL1 P00519 5/20 0.52
EGFR P00533 5/20 0.52
SRC P12931 5/20 0.52
ABL2 P42684 2/20 0.52
PIK3CD O00329 3/20 0.51
HCK P08631 3/20 0.51
KDR P35968 3/20 0.51
PIK3CA P42336 3/20 0.51
PIK3CB P42338 3/20 0.51
MTOR P42345 3/20 0.51
PIK3CG P48736 3/20 0.51
EPHB4 P54760 3/20 0.51
PRKDC P78527 3/20 0.51
PI4KB Q9UBF8 3/20 0.51
LCK P06239 1/20 0.49
LYN P07948 1/20 0.49
BTK Q06187 1/20 0.49

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
SCHEMBL17090629 0.90 BTK (0.61) RETITKABL1EGFRSRC
SCHEMBL863865 0.87 RET (0.58) RET
SCHEMBL863508 0.85 RET (0.71) RETABL1EGFRSRCPIK3CD
SCHEMBL863699 0.85 RET (0.58) RETABL1EGFRSRCPIK3CD
SCHEMBL863581 0.79 ABL1 (0.57) RETITKABL1EGFRSRC
SCHEMBL17090628 0.78 LCK (0.61) RETITKABL1EGFRSRC
SCHEMBL17090631 0.78 BTK (0.58) RETITKEGFRSRCPIK3CD
SCHEMBL17090586 0.77 BTK (0.43) RETITKEGFRSRCHCK
SCHEMBL864623 0.77 SRC (0.61) ITKABL1EGFRSRCABL2
SCHEMBL864876 0.77 SRC (0.54) RETITKABL1EGFRSRC

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 6 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 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 RET 469/4885ITK 118/4885ABL1 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.