SCHEMBL2265649

SCHEMBL2265649

O=C1C=C(c2cnc3ncccn23)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.49
CCNK O75909 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
PKM P14618 10/20 0.43
DYRK1A Q13627 1/20 0.41
GSK3A P49840 3/20 0.39
GSK3B P49841 3/20 0.39
PIK3CA P42336 1/20 0.33

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
SCHEMBL2263881 0.77 FLT3 (0.47) PKMDYRK1AGSK3AGSK3BPIK3CA
Hydrochloric Acid SCHEMBL4032782 0.75 FLT3 (0.46) PKMDYRK1AGSK3AGSK3BPIK3CA
SCHEMBL2261411 0.73 PRMT5 (0.40) GSK3AGSK3B
SCHEMBL4034194 0.73 PRMT5 (0.43)
SCHEMBL5606241 0.68 CYP1A2 (0.32)
SCHEMBL4036874 0.68 PRMT5 (0.44)
SCHEMBL2261834 0.68 CDK8 (0.50) DYRK1A
SCHEMBL2650737 0.67 BACE1 (0.77) BACE1CCNKCDK12PKMDYRK1A
SCHEMBL2265404 0.67 MKNK1 (0.50) DYRK1AGSK3AGSK3B
SCHEMBL3832037 0.66 CYP1A2 (0.43) GSK3B

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-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
US-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-08-25 US disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 US disclosed
US-7491716-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2009-02-17 US disclosed
US-20050090483-A1 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY 2005-04-28 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 (4 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-20050090483-A1 Purine derivatives as kinase inhibitors PNP, ADK, NME2 BACE1 3313/4885CCNK 331/4885CDK12 251/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 BACE1 3313/4885CCNK 331/4885CDK12 251/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 BACE1 3313/4885CCNK 331/4885CDK12 251/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 BACE1 3313/4885CCNK 331/4885CDK12 251/4885

“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.