SCHEMBL2265785

SCHEMBL2265785

O=C1C=C(c2cccc3sccc23)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
GSK3B P49841 2/20 0.39
GSK3A P49840 1/20 0.39
DRD2 P14416 10/20 0.33
HTR1A P08908 9/20 0.33
HTR2A P28223 9/20 0.33
CCKAR P32238 1/20 0.31
CCKBR P32239 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1050913 0.81 GSK3B (0.41) GSK3BKDM4EMEN1MAPTKMT2A
SCHEMBL2267176 0.75 PIM1 (0.41) GSK3BGSK3A
SCHEMBL2544260 0.73 PTPN1 (0.53) GSK3BKDM4EALDH1A1MAPTKDM4C
SCHEMBL27664385 0.73 GSK3B (0.50) GSK3BKDM4EMEN1ALDH1A1MAPT
SCHEMBL121405 0.73 GSK3B (0.50) GSK3BKDM4EMEN1ALDH1A1MAPT
SCHEMBL5153625 0.73 ADRA2A (0.56) ADRA2AADRA2BGSK3BGSK3ADRD2
SCHEMBL11120799 0.72 GSK3B (0.48) GSK3BKDM4EMEN1ALDH1A1MAPT
SCHEMBL12078412 0.71 CES1 (0.42) GSK3B
SCHEMBL8413957 0.71 MEN1 (0.44) GSK3BKDM4EMEN1ALDH1A1MAPT
SCHEMBL27944869 0.71 BACE1 (0.36)

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 ADRA2A 3273/4885ADRA2B 2483/4885GSK3B 386/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 ADRA2A 3273/4885ADRA2B 2483/4885GSK3B 386/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 ADRA2A 3273/4885ADRA2B 2483/4885GSK3B 386/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 ADRA2A 3273/4885ADRA2B 2483/4885GSK3B 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.