SCHEMBL2262535

SCHEMBL2262535

O=C1C=C(c2cccc3c2OCC3)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ PARP1 P09874 2/20 0.42
▸ DAO P14920 1/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CASP9 P55211 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ CASP8 Q14790 1/20 0.33
▸ MAP3K14 Q99558 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.31

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
SCHEMBL2263424 0.81 ADRB1 (0.37) GSK3BDAOKDM4E
SCHEMBL2260720 0.77 GSK3A (0.41) GSK3AGSK3BALDH1A1BRD4CREBBP
SCHEMBL2261995 0.75 GSK3B (0.46) GSK3AGSK3BKDM4EALDH1A1HPGD
SCHEMBL1050913 0.71 GSK3B (0.41) GSK3BPARP1DAOTDP2CASP3
SCHEMBL121405 0.71 GSK3B (0.50) GSK3BPARP1TDP2CASP3CASP7
SCHEMBL27664385 0.71 GSK3B (0.50) GSK3BPARP1TDP2CASP3CASP7
SCHEMBL8410810 0.70 TDP2 (0.45) GSK3BPARP1PDPK1PARP10PARP11
SCHEMBL11120799 0.69 GSK3B (0.48) GSK3BPARP1TDP2CASP3CASP7
SCHEMBL8847907 0.69 DAO (0.40) GSK3BPARP1DAOPARP10PARP11
SCHEMBL2262100 0.68 FFAR4 (0.35) ALDH1A1KCNH2

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 GSK3A 464/4885GSK3B 386/4885PARP1 509/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 GSK3A 464/4885GSK3B 386/4885PARP1 509/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 GSK3A 464/4885GSK3B 386/4885PARP1 509/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 GSK3A 464/4885GSK3B 386/4885PARP1 509/4885

“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.

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