SCHEMBL1318686

SCHEMBL1318686

Nc1cccc(Cc2nn(C3CCCC3)c3ncnc(N)c23)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.66
EGFR P00533 10/20 0.55
ABL1 P00519 11/20 0.51
PIK3CD O00329 10/20 0.51
PIK3CA P42336 10/20 0.51
PIK3CB P42338 10/20 0.51
PIK3CG P48736 10/20 0.51
PRKDC P78527 10/20 0.51
KDR P35968 10/20 0.49
HCK P08631 9/20 0.49
MTOR P42345 9/20 0.49
EPHB4 P54760 9/20 0.49
PI4KB Q9UBF8 6/20 0.49
RET P07949 2/20 0.49
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
CSNK1E P49674 1/20 0.49
AKT1 P31749 1/20 0.48
LCK P06239 1/20 0.47
LYN P07948 1/20 0.47

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
SCHEMBL863906 0.89 SRC (0.64) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL863586 0.89 SRC (0.64) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL864574 0.89 SRC (0.64) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL20500101 0.87 SRC (0.62) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL864623 0.86 SRC (0.61) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL17090595 0.86 LCK (0.63) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL13019812 0.85 PIK3CD (0.66) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL1317950 0.85 SRC (0.62) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL20500089 0.84 SRC (0.58) SRCEGFRABL1PIK3CDPIK3CA
SCHEMBL20500111 0.84 SRC (0.65) SRCEGFRABL1PIK3CDPIK3CA

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-9353116-B2 Methods and compositions for kinase inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 US disclosed
US-9353116-B2 Methods and compositions for kinase inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-31 US disclosed
EP-2358720-B1 FUSED RING HETEROARYL KINASE INHIBITORS UNIV CALIFORNIA (US) 2016-03-02 EP disclosed
US-8697709-B2 Fused ring heteroaryl kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-04-15 US disclosed
US-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 US disclosed
US-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 US disclosed
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 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 (2 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-20130137708-A1 METHODS AND COMPOSITIONS FOR KINASE INHIBITION SRC, ABL1, LCK SRC 1/4885EGFR 132/4885ABL1 2/4885
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK SRC 180/4885EGFR 985/4885ABL1 46/4885

“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.