SCHEMBL4838535

SCHEMBL4838535

c1ccc(-c2cn3ccnc3c(Nc3ccc4ocnc4c3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.56
SYK P43405 9/20 0.51
CD63 P08962 2/20 0.51
PRKD1 Q15139 1/20 0.49
BTK Q06187 1/20 0.47

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
SCHEMBL4840485 0.90 SYK (0.65) AURKASYKCD63
SCHEMBL2476104 0.82 SYK (0.69) SYKBTK
SCHEMBL14106210 0.82 SYK (0.65) AURKASYKCD63
SCHEMBL2482928 0.82 SYK (0.71) SYKCD63
SCHEMBL2479097 0.79 SYK (0.66) AURKASYKCD63BTK
SCHEMBL2481025 0.77 SYK (0.81) SYKCD63
SCHEMBL2477250 0.77 SYK (0.66) SYKCD63BTK
SCHEMBL2482612 0.76 SYK (0.71) SYKCD63
SCHEMBL2480189 0.75 SYK (0.69) SYKBTK
SCHEMBL4830794 0.74 PRKD1 (0.43) AURKASYKCD63PRKD1

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 4 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-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 AURKA 551/4885SYK 2/4885CD63 2678/4885
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 AURKA 463/4885SYK 2/4885CD63 2443/4885

“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.