SCHEMBL2261995

SCHEMBL2261995

O=C1C=C(c2cccc3c2OCO3)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.46
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GSK3A P49840 3/20 0.40
▸ CDK2 P24941 3/20 0.36
▸ AURKA O14965 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ TTBK1 Q5TCY1 1/20 0.34
▸ TTBK2 Q6IQ55 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ MGAM O43451 1/20 0.34
▸ AMY1A P0DUB6 1/20 0.34
▸ SI P14410 1/20 0.34

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 0.88 ADRB1 (0.37) GSK3BTSHRKDM4ECHEK2GAA
SCHEMBL10433670 0.75 HTR3E (0.42) GSK3BCDK2AURKACDK1CDK4
SCHEMBL2262535 0.75 GSK3A (0.42) GSK3BGSK3AKDM4EALDH1A1HSD17B10
SCHEMBL2262100 0.75 FFAR4 (0.35) ALDH1A1
SCHEMBL2260720 0.75 GSK3A (0.41) GSK3BPKMTSHRGSK3ACDK2
SCHEMBL7594061 0.74 ABCG2 (0.55) GSK3BPKMTSHRGSK3ACHEK1
SCHEMBL1050913 0.73 GSK3B (0.41) GSK3BCDK2CDK1CDK4KDM4E
SCHEMBL121405 0.72 GSK3B (0.50) GSK3BTSHRKDM4EALDH1A1HSD17B10
SCHEMBL27664385 0.72 GSK3B (0.50) GSK3BTSHRKDM4EALDH1A1HSD17B10
SCHEMBL11120799 0.70 GSK3B (0.48) GSK3BTSHRKDM4EALDH1A1HSD17B10

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 GSK3B 386/4885PKM 396/4885TSHR 3594/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 GSK3B 386/4885PKM 396/4885TSHR 3594/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 GSK3B 386/4885PKM 396/4885TSHR 3594/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 GSK3B 386/4885PKM 396/4885TSHR 3594/4885

“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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