SCHEMBL863699

SCHEMBL863699

Nc1ncnc2c1c(C(=O)c1cccc(F)c1)nn2C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.58
BTK Q06187 6/20 0.55
EGFR P00533 5/20 0.53
PIK3CD O00329 3/20 0.53
ABL1 P00519 3/20 0.53
HCK P08631 3/20 0.53
SRC P12931 3/20 0.53
KDR P35968 3/20 0.53
PIK3CA P42336 3/20 0.53
PIK3CB P42338 3/20 0.53
MTOR P42345 3/20 0.53
PIK3CG P48736 3/20 0.53
EPHB4 P54760 3/20 0.53
PRKDC P78527 3/20 0.53
PI4KB Q9UBF8 3/20 0.53

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
SCHEMBL863865 0.88 RET (0.58) RET
SCHEMBL863508 0.88 RET (0.71) RETEGFRPIK3CDABL1HCK
SCHEMBL863781 0.85 RET (0.55) RETBTKEGFRPIK3CDABL1
SCHEMBL17090629 0.84 BTK (0.61) RETBTKEGFRABL1HCK
SCHEMBL15451261 0.78 BTK (0.41) RETBTKEGFRPIK3CDABL1
SCHEMBL19775208 0.78 RET (0.61) RET
SCHEMBL19303914 0.78 RET (0.64) RET
SCHEMBL19732745 0.77 RET (0.63) RET
SCHEMBL17235723 0.76 BTK (0.69) BTKEGFRPIK3CDABL1HCK
SCHEMBL14617696 0.76 RET (0.53) RETEGFRPIK3CDABL1HCK

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 RET 469/4885BTK 13/4885EGFR 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.