SCHEMBL2260916

SCHEMBL2260916

O=C1C=C(c2ccnc3ccsc23)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
PARP1 P09874 1/20 0.41
SPR P35270 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AXL P30530 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
USP7 Q93009 1/20 0.32
KDR P35968 1/20 0.31
ACVR1 Q04771 1/20 0.31
PDE5A O76074 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
Hydrochloric Acid SCHEMBL4034216 0.99 PDPK1 (0.40) PDPK1PARP1SPRMEN1KMT2A
SCHEMBL2267176 0.73 PIM1 (0.41) PARP1
SCHEMBL12078412 0.69 CES1 (0.42)
SCHEMBL25156828 0.65 KDR (0.38) PDPK1PARP1MEN1AXLMKNK1
SCHEMBL11299368 0.64 PDPK1 (0.50) PDPK1PARP1SPRMEN1KMT2A
SCHEMBL27915712 0.64 PDPK1 (0.46) PDPK1PARP1SPRMEN1KMT2A
SCHEMBL23716941 0.64 PDK1 (0.47) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL2265785 0.64 ADRA2A (0.43) MEN1KMT2A
SCHEMBL121405 0.64 GSK3B (0.50) PARP1MEN1KMT2AACVR1
SCHEMBL27664385 0.64 GSK3B (0.50) PARP1MEN1KMT2AACVR1

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 PDPK1 67/4885PARP1 509/4885SPR 1992/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PDPK1 67/4885PARP1 509/4885SPR 1992/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PDPK1 67/4885PARP1 509/4885SPR 1992/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PDPK1 67/4885PARP1 509/4885SPR 1992/4885

“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.