SCHEMBL2217712

SCHEMBL2217712

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc(-c4cccc(N)c4)cn4ccnc34)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.64
AURKA O14965 5/20 0.60
CD63 P08962 3/20 0.56
BTK Q06187 1/20 0.50
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49

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
SCHEMBL30806176 0.92 SYK (0.54) SYKAURKACD63BTKJAK2
SCHEMBL2216603 0.86 BTK (0.72) SYKAURKABTK
SCHEMBL2217499 0.83 CCND3 (0.51) SYKAURKACD63JAK2JAK3
SCHEMBL24864097 0.81 SYK (0.79) SYKAURKACD63BTKJAK2
SCHEMBL4810656 0.79 BTK (0.71) SYKAURKABTK
SCHEMBL4802737 0.77 BTK (0.79) SYKAURKABTK
SCHEMBL21471428 0.77 AURKA (0.55) SYKAURKACD63BTKJAK2
SCHEMBL12514839 0.76 AURKA (0.79) SYKAURKACD63BTK
SCHEMBL21471538 0.76 AURKA (0.66) SYKAURKACD63BTKJAK2
SCHEMBL2482747 0.76 AURKA (0.77) SYKAURKACD63BTKJAK2

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 10 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-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-2005033089-A1 SALT OF 6-(1, 3-DIHYDRO-4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-5-ISOBENZOFURANYL)-4-METHYL-4-HEXENOIC ACID WITH N, N-DIMETHYL-IMIDODICARBONIMIDIC DIAMIDE BIOCON LIMITED (IN) 2005-04-14 WO 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 197/4885CD63 3166/4885
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 197/4885CD63 3166/4885
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 208/4885CD63 4340/4885

“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.