SCHEMBL863581

SCHEMBL863581

COc1cccc(Oc2nn(C3CCCC3)c3ncnc(N)c23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.57
EGFR P00533 11/20 0.57
SRC P12931 11/20 0.57
ABL2 P42684 3/20 0.57
BTK Q06187 3/20 0.56
LCK P06239 2/20 0.56
LYN P07948 1/20 0.56
PIK3CD O00329 9/20 0.55
PIK3CA P42336 9/20 0.55
PIK3CB P42338 9/20 0.55
PIK3CG P48736 9/20 0.55
PRKDC P78527 9/20 0.55
KDR P35968 9/20 0.55
EPHB4 P54760 9/20 0.55
HCK P08631 8/20 0.55
MTOR P42345 8/20 0.55
PI4KB Q9UBF8 7/20 0.55
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL17090620 0.90 LCK (0.69) ABL1EGFRSRCBTKLCK
SCHEMBL864157 0.89 BTK (0.56) ABL1EGFRSRCABL2BTK
SCHEMBL864640 0.87 BTK (0.56) ABL1EGFRSRCBTKLCK
SCHEMBL863295 0.87 CSNK1A1 (0.60) ABL1EGFRSRCBTKLCK
SCHEMBL13019968 0.85 CSNK1A1 (0.60) ABL1EGFRSRCABL2BTK
SCHEMBL6431315 0.85 BTK (0.80) ABL1EGFRSRCBTKLCK
SCHEMBL24005983 0.85 CYP1A2 (0.63) ABL1EGFRSRCABL2BTK
SCHEMBL17090619 0.84 LCK (0.76) EGFRSRCBTKLCKLYN
SCHEMBL14617691 0.83 LCK (0.67) ABL1EGFRSRCBTKLCK
SCHEMBL23259873 0.83 CSNK1A1 (0.62) ABL1EGFRSRCBTKLCK

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 ABL1 18/4885EGFR 1318/4885SRC 25/4885

“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.