SCHEMBL6068866

SCHEMBL6068866

O=C1NC(=O)C(c2cn(-c3cccnc3)c3ccccc23)=C1c1cn(CCn2cnnn2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.58
PRKCB P05771 2/20 0.58
PRKCA P17252 2/20 0.58
CAMK2D Q13557 2/20 0.54
PRKCG P05129 1/20 0.53
PRKCZ Q05513 1/20 0.53
PRKCD Q05655 1/20 0.53
KCNH2 Q12809 1/20 0.53
QPCT Q16769 7/20 0.49
IDH1 O75874 4/20 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
SCHEMBL4686103 0.84 GSK3B (0.71) GSK3BPRKCBPRKCACAMK2DPRKCG
SCHEMBL1127978 0.84 GSK3B (0.63) GSK3BPRKCBPRKCACAMK2DPRKCG
SCHEMBL6069401 0.84 GSK3B (0.58) GSK3BPRKCBPRKCACAMK2DPRKCG
SCHEMBL6069262 0.78 GSK3B (0.71) GSK3BPRKCBPRKCACAMK2DPRKCG
SCHEMBL13670446 0.78 GSK3B (0.65) GSK3BPRKCBPRKCACAMK2DPRKCG
SCHEMBL4682932 0.75 GSK3B (0.67) GSK3BPRKCBPRKCACAMK2DPRKCG
SCHEMBL1128590 0.75 GSK3B (0.55) GSK3BPRKCBPRKCACAMK2DQPCT
SCHEMBL3774109 0.74 GSK3B (0.66) GSK3BPRKCBPRKCACAMK2DPRKCG
SCHEMBL5756894 0.74 GSK3B (0.76) GSK3BPRKCBPRKCACAMK2DPRKCG
SCHEMBL3773898 0.74 GSK3B (1.00) GSK3BPRKCBPRKCACAMK2DPRKCG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987110-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-17 US disclosed
US-20040059113-A1 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2004-03-25 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 (1 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-20040059113-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK GSK3B 880/4885PRKCB 55/4885PRKCA 59/4885

“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.