SCHEMBL4803141

SCHEMBL4803141

O=C(Cc1ccccc1)Nc1cccc(-c2cn3ccnc3c(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.58
AURKA O14965 7/20 0.56
SYK P43405 5/20 0.56
TP53 P04637 1/20 0.52
EPHB4 P54760 3/20 0.51
TMIGD3 P0DMS9 1/20 0.49
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
INSR P06213 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
FES P07332 1/20 0.47
LYN P07948 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
FGFR1 P11362 1/20 0.47
FER P16591 1/20 0.47
FLT1 P17948 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
SCHEMBL4811674 0.90 BTK (0.69) BTKAURKASYK
SCHEMBL4806403 0.88 SYK (0.72) BTKAURKASYK
SCHEMBL4810955 0.87 BTK (0.64) BTKAURKASYKEPHB4
SCHEMBL4806558 0.87 BTK (0.62) BTKAURKASYK
SCHEMBL2216011 0.87 SYK (0.58) BTKAURKASYKFLT3PTK6
SCHEMBL4806469 0.86 BTK (0.65) BTKAURKASYK
SCHEMBL4808085 0.86 BTK (0.65) BTKAURKASYKEPHB4
SCHEMBL4805109 0.86 BTK (0.63) BTKAURKASYKEPHB4
SCHEMBL4809900 0.86 BTK (0.65) BTKAURKASYK
SCHEMBL6002498 0.85 SYK (0.62) BTKAURKASYKFLT3PTK6

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-7405295-B2 Certain imidazo[1,2-a]pyrazin-8-ylamines and method of inhibition of Bruton's tyrosine kinase by such compounds CGI PHARMACEUTICALS, INC. (US) 2008-07-29 US claimed
US-20060183746-A1 Certain imidazo[1,2-a]pyrazin-8-ylamines and method of inhibition of Bruton's tyrosine kinase by such compounds CGI PHARMACEUTICALS, INC. 2006-08-17 US claimed
US-20050090499-A1 Certain imidazo[1,2-a]pyrazin-8-ylamines and method of inhibition of bruton's tyrosine kinase by such compounds GILEAD CONNECTICUT, INC. 2005-04-28 US claimed
US-20110177011-A1 CERTAIN IMIDAZO[1,2-A]PYRAZIN-8-YLAMINES AND METHOD OF INHIBITION OF BRUTON'S TYROSINE KINASE BY SUCH COMPOUNDS CURRIE KEVIN S 2011-07-21 US disclosed
US-20110177011-A1 CERTAIN IMIDAZO[1,2-A]PYRAZIN-8-YLAMINES AND METHOD OF INHIBITION OF BRUTON'S TYROSINE KINASE BY SUCH COMPOUNDS CURRIE KEVIN S 2011-07-21 US disclosed
US-7405295-B2 Certain imidazo[1,2-a]pyrazin-8-ylamines and method of inhibition of Bruton's tyrosine kinase by such compounds CGI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20060183746-A1 Certain imidazo[1,2-a]pyrazin-8-ylamines and method of inhibition of Bruton's tyrosine kinase by such compounds CGI PHARMACEUTICALS, INC. 2006-08-17 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-20050090499-A1 Certain imidazo[1,2-a]pyrazin-8-ylamines and method of inhibition of bruton's tyrosine kinase by such compounds BTK, SYK, JAK1 BTK 1/4885AURKA 197/4885SYK 2/4885
US-20110177011-A1 CERTAIN IMIDAZO[1,2-A]PYRAZIN-8-YLAMINES AND METHOD OF INHIBITION OF BRUTON'S TYROSINE KINASE BY SUCH COMPOUNDS BTK, SYK, JAK1 BTK 1/4885AURKA 197/4885SYK 2/4885
US-20060183746-A1 Certain imidazo[1,2-a]pyrazin-8-ylamines and method of inhibition of Bruton's tyrosine kinase by such compounds BTK, SYK, LCK BTK 1/4885AURKA 208/4885SYK 2/4885

“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.