SCHEMBL2267176

SCHEMBL2267176

O=C1C=C(c2cccc3ccsc23)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
CYP2A6 P11509 1/20 0.40
GSK3B P49841 3/20 0.38
GSK3A P49840 2/20 0.38
PARP1 P09874 1/20 0.37
DAO P14920 1/20 0.35
PABPC1 P11940 1/20 0.34
DNMT1 P26358 1/20 0.34
HDAC4 P56524 1/20 0.34
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCZ Q05513 1/20 0.32
PRKCD Q05655 1/20 0.32
PRKD1 Q15139 1/20 0.32

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
SCHEMBL2265785 0.75 ADRA2A (0.43) GSK3BGSK3A
SCHEMBL1050913 0.74 GSK3B (0.41) PIM1GSK3BPARP1DAOPRKD3
SCHEMBL2544260 0.73 PTPN1 (0.53) GSK3BPARP1DNMT1PRKD3PRKCG
SCHEMBL27664385 0.73 GSK3B (0.50) GSK3BPARP1HSD17B10NPSR1
SCHEMBL121405 0.73 GSK3B (0.50) GSK3BPARP1HSD17B10NPSR1
SCHEMBL2260916 0.73 PDPK1 (0.41) PARP1
Hydrochloric Acid SCHEMBL4034216 0.72 PDPK1 (0.40) PARP1
SCHEMBL11120799 0.72 GSK3B (0.48) GSK3BPARP1HSD17B10NPSR1
SCHEMBL12078412 0.71 CES1 (0.42) GSK3BPABPC1DNMT1
SCHEMBL29011874 0.71 GSK3B (0.40) GSK3BPARP1DAODNMT1PRKD3

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-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
US-8058425-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-11-15 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 PIM1 507/4885CYP2A6 2565/4885GSK3B 386/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PIM1 507/4885CYP2A6 2565/4885GSK3B 386/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PIM1 507/4885CYP2A6 2565/4885GSK3B 386/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PIM1 507/4885CYP2A6 2565/4885GSK3B 386/4885

“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.