SCHEMBL4836906

SCHEMBL4836906

Nc1cccc(-c2cn3ccnc3c(Nc3ccc4[nH]ncc4c3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 19/20 0.67
CD63 P08962 1/20 0.65
AURKA O14965 1/20 0.64
JAK2 O60674 1/20 0.56
NTRK1 P04629 1/20 0.56
ROS1 P08922 1/20 0.56
CSNK2A2 P19784 1/20 0.56
FLT3 P36888 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56
BTK Q06187 1/20 0.56
PTK6 Q13882 1/20 0.56
CSNK2A3 Q8NEV1 1/20 0.56

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
SCHEMBL2478633 0.87 SYK (0.80) SYKJAK2NTRK1ROS1CSNK2A2
SCHEMBL4838127 0.82 SYK (0.67) SYKCD63AURKAJAK2NTRK1
SCHEMBL2480610 0.82 SYK (0.84) SYKJAK2NTRK1ROS1CSNK2A2
SCHEMBL4835147 0.82 SYK (0.67) SYKCD63AURKA
SCHEMBL2216977 0.81 AURKA (0.77) SYKCD63AURKABTK
SCHEMBL2478543 0.81 SYK (0.70) SYKJAK2NTRK1ROS1CSNK2A2
SCHEMBL12514839 0.81 AURKA (0.79) SYKCD63AURKABTK
SCHEMBL2480832 0.80 SYK (1.00) SYKCD63
SCHEMBL2476115 0.80 SYK (0.74) SYKJAK2NTRK1ROS1CSNK2A2
SCHEMBL4837006 0.80 BTK (0.76) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182849-A1 Certain Heterocyclic Substituted Imidazo[1,2-A]Pyrazin-8-Ylamines And Methods Of Inhibition Of Bruton's Tyrosine Kinase By Such Compounds CURRIE KEVIN S 2008-07-31 US disclosed
US-20080182849-A1 Certain Heterocyclic Substituted Imidazo[1,2-A]Pyrazin-8-Ylamines And Methods Of Inhibition Of Bruton's Tyrosine Kinase By Such Compounds CURRIE KEVIN S 2008-07-31 US disclosed
US-7393848-B2 Certain heterocyclic substituted imidazo[1,2-A]pyrazin-8-ylamines and methods of inhibition of Bruton's tyrosine kinase by such compounds CGI PHARMACEUTICALS, INC. (US) 2008-07-01 US disclosed
US-7393848-B2 Certain heterocyclic substituted imidazo[1,2-A]pyrazin-8-ylamines and methods of inhibition of Bruton's tyrosine kinase by such compounds CGI PHARMACEUTICALS, INC. (US) 2008-07-01 US disclosed
US-20050101604-A1 Certain heterocyclic substituted imidazo[1,2-A]pyrazin-8-ylamines and methods of inhibition of bruton's tyrosine kinase by such compounds GILEAD CONNECTICUT, INC. 2005-05-12 US disclosed
WO-2005005429-A1 CERTAIN HETEROCYCLIC SUBSTITUTED IMIDAZO[1,2-A]PYRAZIN-8-YLAMINES AND METHODS OF INHIBITION OF BRUTON’S TYROSINE KINASE BY SUCH COMPOUNDS CELLULAR GENOMICS, INC. (US) 2005-01-20 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 (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-20050101604-A1 Certain heterocyclic substituted imidazo[1,2-A]pyrazin-8-ylamines and methods of inhibition of bruton's tyrosine kinase by such compounds BTK, SYK, LYN SYK 2/4885CD63 2678/4885AURKA 551/4885
US-20080182849-A1 Certain Heterocyclic Substituted Imidazo[1,2-A]Pyrazin-8-Ylamines And Methods Of Inhibition Of Bruton's Tyrosine Kinase By Such Compounds BTK, SYK, LYN SYK 2/4885CD63 2443/4885AURKA 463/4885

“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.