SCHEMBL864574

SCHEMBL864574

Cc1cccc(Cc2nn(C3CCCC3)c3ncnc(N)c23)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 0.64
EGFR P00533 10/20 0.53
ABL1 P00519 11/20 0.52
IGF1R P08069 1/20 0.50
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
AKT1 P31749 1/20 0.49
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
CSNK1E P49674 1/20 0.48
KDR P35968 10/20 0.48
HCK P08631 9/20 0.48
MTOR P42345 9/20 0.48
EPHB4 P54760 9/20 0.48
PI4KB Q9UBF8 7/20 0.48
RET P07949 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
SCHEMBL1318686 0.89 SRC (0.66) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL12120715 0.87 SRC (0.65) SRCEGFRKDRRET
SCHEMBL863586 0.87 SRC (0.64) SRCEGFRABL1IGF1RPIK3CD
SCHEMBL863906 0.87 SRC (0.64) SRCEGFRABL1IGF1RPIK3CD
SCHEMBL14617694 0.87 SRC (0.55) SRCEGFRABL1IGF1RPIK3CD
SCHEMBL864623 0.87 SRC (0.61) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL12120474 0.85 SRC (0.62) SRCEGFRRET
SCHEMBL20500101 0.85 SRC (0.62) SRCEGFRABL1IGF1RPIK3CD
SCHEMBL17090595 0.84 LCK (0.63) SRCEGFRABL1IGF1RPIK3CD
SCHEMBL13019812 0.83 PIK3CD (0.66) SRCEGFRABL1IGF1RPIK3CD

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-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS PLEXXIKON, INC. 2012-03-29 US claimed
US-9862722-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2018-01-09 US disclosed
US-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2015-11-19 US disclosed
US-9138436-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-09-22 US disclosed
US-8642606-B2 ZAP-70 active compounds PLEXXIKON INC. (US) 2014-02-04 US disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 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 (3 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-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 SRC 11/4885EGFR 947/4885ABL1 1/4885
US-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS ZAP70, PRKCZ, PRKDC SRC 25/4885EGFR 1318/4885ABL1 18/4885
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 SRC 11/4885EGFR 947/4885ABL1 1/4885

“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.