SCHEMBL4802128

SCHEMBL4802128

Cc1cccc(Nc2nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cn3ccnc23)c1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.85
SYK P43405 12/20 0.81
EPHB4 P54760 2/20 0.58
AURKA O14965 4/20 0.57
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL2217640 0.92 BTK (1.00) BTKSYKEPHB4AURKAALDH1A1
SCHEMBL29523904 0.92 BTK (1.00) BTKSYKEPHB4AURKAALDH1A1
SCHEMBL2215448 0.91 BTK (0.84) BTKSYKEPHB4AURKA
SCHEMBL2217415 0.91 SYK (0.89) BTKSYKEPHB4AURKA
SCHEMBL2219062 0.91 BTK (0.90) BTKSYKEPHB4AURKA
SCHEMBL4811490 0.90 BTK (0.89) BTKSYKEPHB4AURKA
SCHEMBL2218484 0.90 SYK (1.00) BTKSYKEPHB4AURKA
SCHEMBL2216718 0.90 BTK (0.89) BTKSYKEPHB4AURKA
SCHEMBL6002791 0.90 BTK (0.89) BTKSYKEPHB4AURKA
SCHEMBL4816119 0.90 BTK (0.89) BTKSYKEPHB4AURKA

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
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 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 (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-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 1/4885SYK 2/4885EPHB4 4835/4885
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 1/4885SYK 2/4885EPHB4 4471/4885

“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.