SCHEMBL2260920

SCHEMBL2260920

O=C1C=CC(=O)N1c1ccnc2ccsc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
PARP1 P09874 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR9 Q9NR96 2/20 0.38
AXL P30530 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
BCHE P06276 1/20 0.35
MGLL Q99685 7/20 0.33
KDR P35968 2/20 0.33
SPR P35270 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
FAAH O00519 1/20 0.32
POLB P06746 1/20 0.32
HTR2C P28335 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
CCR6 P51684 1/20 0.32

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 SCHEMBL4034218 0.98 PDPK1 (0.40) PDPK1PARP1MEN1KMT2ATLR9
SCHEMBL6348642 0.75 AXL (0.37) PDPK1PARP1MEN1KMT2AAXL
SCHEMBL2582372 0.69 TLR9 (0.50) TLR9MGLLFAAHALDH1A1HSP90AA1
SCHEMBL11299368 0.69 PDPK1 (0.50) PDPK1PARP1MEN1KMT2AAXL
SCHEMBL2799253 0.68 HTR2C (0.60) HTR2C
SCHEMBL25202866 0.67 ADORA2A (0.34) PDPK1PARP1MEN1KMT2AAXL
SCHEMBL29367767 0.66 KDR (0.42) PDPK1PARP1MEN1KMT2AAXL
SCHEMBL953753 0.66 KDR (0.42) PDPK1PARP1MEN1KMT2AAXL
SCHEMBL25201888 0.65 HTR2A (0.38) PDPK1PARP1MEN1KMT2APOLB
SCHEMBL21393430 0.65 AXL (0.44) PDPK1PARP1MEN1KMT2AAXL

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PDPK1 67/4885PARP1 509/4885MEN1 3239/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PDPK1 67/4885PARP1 509/4885MEN1 3239/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PDPK1 67/4885PARP1 509/4885MEN1 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.