SCHEMBL2217499

SCHEMBL2217499

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc(Br)cn4ccnc34)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 2/20 0.51
CCNK O75909 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CDK9 P50750 1/20 0.51
CDK6 Q00534 1/20 0.51
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
JAK2 O60674 2/20 0.47
JAK3 P52333 2/20 0.47
NAMPT P43490 1/20 0.46
AURKA O14965 1/20 0.45
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CCND2 P30279 1/20 0.45
SYK P43405 9/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL14927017 0.89 WNT3A (0.46) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL15550868 0.86 SYK (0.48) SYKCD63
SCHEMBL15550428 0.86 JAK3 (0.51) JAK2JAK3NAMPTPTK2GPR119
SCHEMBL30806184 0.84 SYK (0.43) MAPTKMT2ASMN1; SMN2JAK2AURKA
SCHEMBL2217712 0.83 SYK (0.64) JAK2JAK3AURKASYKCD63
SCHEMBL30806176 0.83 SYK (0.54) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL30806172 0.82 AURKA (0.45) MEN1KMT2AJAK2AURKASYK
SCHEMBL10256167 0.81 CCND3 (0.49) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL30783301 0.81 CCND3 (0.51) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL21471583 0.80 AURKA (0.42) CCND3MAPTJAK2JAK3AURKA

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 9 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-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 CCND3 703/4885CCNK 362/4885CCNA2 481/4885
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 CCND3 703/4885CCNK 362/4885CCNA2 481/4885
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 CCND3 839/4885CCNK 205/4885CCNA2 491/4885

“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.