SCHEMBL2260720

SCHEMBL2260720

O=C1C=C(c2cccc3c2CCO3)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTR1A P08908 2/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ SLC9A1 P19634 5/20 0.33
▸ SLC9A5 Q14940 1/20 0.33
▸ SLC9A2 Q9UBY0 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MTNR1B P49286 3/20 0.32
▸ CDK2 P24941 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MTNR1A P48039 1/20 0.30

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) GSK3BHTR1ATSHRGAAMAPK1
SCHEMBL2262535 0.77 GSK3A (0.42) GSK3AGSK3BBRD4CREBBPALDH1A1
SCHEMBL2261995 0.75 GSK3B (0.46) GSK3AGSK3BTSHRGAACDK2
SCHEMBL17025667 0.73 PARP1 (0.34) GSK3B
SCHEMBL1050913 0.71 GSK3B (0.41) GSK3BMEN1KMT2AGAACDK2
SCHEMBL121405 0.71 GSK3B (0.50) GSK3BMEN1KMT2ATSHRMAPK1
SCHEMBL27664385 0.71 GSK3B (0.50) GSK3BMEN1KMT2ATSHRMAPK1
SCHEMBL8410810 0.70 TDP2 (0.45) GSK3BTSHR
SCHEMBL11120799 0.69 GSK3B (0.48) GSK3BMEN1KMT2ATSHRMAPK1
SCHEMBL8847907 0.69 DAO (0.40) GSK3BMEN1KMT2AGAAMAPK1

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 GSK3A 464/4885GSK3B 386/4885MEN1 3239/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 GSK3A 464/4885GSK3B 386/4885MEN1 3239/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 GSK3A 464/4885GSK3B 386/4885MEN1 3239/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 GSK3A 464/4885GSK3B 386/4885MEN1 3239/4885

“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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