SCHEMBL864634

SCHEMBL864634

Nc1ncnc2c1c(Nc1cccc(F)c1)nn2C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.53
EGFR P00533 12/20 0.53
PIK3CD O00329 11/20 0.53
PIK3CA P42336 11/20 0.53
PIK3CB P42338 11/20 0.53
PIK3CG P48736 11/20 0.53
PRKDC P78527 11/20 0.53
ABL1 P00519 10/20 0.53
HCK P08631 10/20 0.53
KDR P35968 10/20 0.53
MTOR P42345 10/20 0.53
EPHB4 P54760 10/20 0.53
PI4KB Q9UBF8 6/20 0.53
RET P07949 5/20 0.52
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48

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
SCHEMBL863887 0.87 RET (0.52) SRCEGFRPIK3CDPIK3CAPIK3CB
SCHEMBL10068589 0.87 RET (0.68) SRCEGFRPIK3CDPIK3CAPIK3CB
SCHEMBL14575510 0.87 RET (0.66) SRCEGFRPIK3CDPIK3CAPIK3CB
SCHEMBL864876 0.85 SRC (0.54) SRCEGFRPIK3CDPIK3CAPIK3CB
SCHEMBL3787803 0.84 RET (0.62) SRCEGFRPIK3CDPIK3CAPIK3CB
SCHEMBL864640 0.77 BTK (0.56) SRCEGFRPIK3CDPIK3CAPIK3CB
SCHEMBL863586 0.77 SRC (0.64) SRCEGFRPIK3CDPIK3CAPIK3CB
SCHEMBL14617707 0.75 BRD4 (0.41) SRCPIK3CAPRKDCABL1HCK
SCHEMBL863699 0.75 RET (0.58) SRCEGFRPIK3CDPIK3CAPIK3CB
SCHEMBL24041322 0.72 BTK (0.78) SRCEGFRPIK3CDPIK3CAPIK3CB

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 8 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-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 1318/4885PIK3CD 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.