SCHEMBL2216011

SCHEMBL2216011

O=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.58
AURKA O14965 6/20 0.58
BTK Q06187 3/20 0.54
CD63 P08962 2/20 0.52
JAK2 O60674 1/20 0.51
NTRK1 P04629 1/20 0.51
ROS1 P08922 1/20 0.51
CSNK2A2 P19784 1/20 0.51
FLT3 P36888 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
PTK6 Q13882 1/20 0.51
CSNK2A3 Q8NEV1 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
SCHEMBL6002493 0.92 SYK (0.64) SYKAURKABTKCD63JAK2
SCHEMBL6002498 0.91 SYK (0.62) SYKAURKABTKCD63JAK2
SCHEMBL4806403 0.91 SYK (0.72) SYKAURKABTK
SCHEMBL4811674 0.90 BTK (0.69) SYKAURKABTK
SCHEMBL21471537 0.90 AURKA (0.73) SYKAURKABTKCD63JAK2
SCHEMBL4810955 0.87 BTK (0.64) SYKAURKABTK
SCHEMBL4803141 0.87 BTK (0.58) SYKAURKABTKFLT3PTK6
SCHEMBL2218466 0.86 BTK (0.70) SYKAURKABTK
SCHEMBL4811664 0.86 AURKA (0.63) SYKAURKABTK
SCHEMBL4806469 0.86 BTK (0.65) SYKAURKABTK

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-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-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-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
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 disclosed
WO-2005014599-A1 IMIDAZO[1,2-A]PYRAZIN-8-YLAMINES AND METHOD OF INHIBITION OF BRUTON’S TYROSINE KINASE BY SUCH COMPOUNDS CELLULAR GENOMICS, INC. (US) 2005-02-17 WO 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 SYK 2/4885AURKA 197/4885BTK 1/4885
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 SYK 2/4885AURKA 197/4885BTK 1/4885
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 SYK 2/4885AURKA 208/4885BTK 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.