SCHEMBL863887

SCHEMBL863887

Cc1cccc(Nc2nn(C3CCCC3)c3ncnc(N)c23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.52
SRC P12931 12/20 0.49
PIK3CD O00329 10/20 0.49
PIK3CA P42336 10/20 0.49
PIK3CB P42338 10/20 0.49
PIK3CG P48736 10/20 0.49
PRKDC P78527 10/20 0.49
KDR P35968 11/20 0.48
ABL1 P00519 9/20 0.48
EGFR P00533 9/20 0.48
HCK P08631 9/20 0.48
MTOR P42345 9/20 0.48
EPHB4 P54760 9/20 0.48
PI4KB Q9UBF8 6/20 0.48
ERBB2 P04626 1/20 0.46
LCK P06239 2/20 0.46
BTK Q06187 2/20 0.46
LYN P07948 1/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 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
SCHEMBL10068589 0.87 RET (0.68) RETSRCPIK3CDPIK3CAPIK3CB
SCHEMBL864634 0.87 SRC (0.53) RETSRCPIK3CDPIK3CAPIK3CB
SCHEMBL864876 0.87 SRC (0.54) RETSRCPIK3CDPIK3CAPIK3CB
SCHEMBL14575510 0.87 RET (0.66) RETSRCPIK3CDPIK3CAPIK3CB
SCHEMBL3787803 0.84 RET (0.62) RETSRCPIK3CDPIK3CAPIK3CB
SCHEMBL14617707 0.83 BRD4 (0.41) RETSRCPIK3CAPRKDCKDR
SCHEMBL12120719 0.77 AURKB (0.73) RETSRCPIK3CDPIK3CAPIK3CB
SCHEMBL14617696 0.77 RET (0.53) RETSRCPIK3CDPIK3CAPIK3CB
SCHEMBL17264219 0.77 SRC (0.52) SRCABL1EGFRERBB2IKBKE
SCHEMBL14617736 0.77 BRD4 (0.43) RETSRCPIK3CAPRKDCKDR

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 RET 469/4885SRC 25/4885PIK3CD 237/4885

“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.