SCHEMBL946430

SCHEMBL946430

O=[N+]([O-])c1ccc(Cn2cnc3c(Cl)nc(Cl)nc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 1/20 0.58
SLC29A1 Q99808 9/20 0.55
ADORA2A P29274 2/20 0.53
ADORA1 P30542 1/20 0.53
HDAC6 Q9UBN7 5/20 0.48
HDAC4 P56524 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
YTHDC1 Q96MU7 2/20 0.47

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
SCHEMBL29853379 1.00 MEN1 (0.58) MEN1LMNAKMT2ASLC29A1ADORA2A
SCHEMBL23388239 0.89 ADORA2A (0.67) MEN1LMNAKMT2ASLC29A1ADORA2A
SCHEMBL25511872 0.88 MEN1 (0.59) MEN1LMNAKMT2ASLC29A1ADORA2A
SCHEMBL17144339 0.87 ADORA2A (0.56) MEN1LMNAKMT2ASLC29A1ADORA2A
SCHEMBL5465713 0.82 P2RX7 (0.56) ADORA2AHDAC6HDAC4HDAC1HDAC3
SCHEMBL13596788 0.80 HDAC6 (0.57) ADORA2AHDAC6HDAC4HDAC1HDAC3
SCHEMBL5461215 0.80 HDAC6 (0.60) HDAC6HDAC4HDAC1HDAC3HDAC7
SCHEMBL5459615 0.80 HDAC6 (0.60) HDAC6HDAC4HDAC1HDAC3HDAC7
SCHEMBL5787827 0.80 ADORA2A (0.53) ADORA2AADORA1HDAC6HDAC4HDAC1
SCHEMBL29601391 0.80 MEN1 (0.46) MEN1LMNAKMT2ASLC29A1ADORA2A

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-20110009403-A1 2-MORPHOLINYLPURINES AS INHIBITORS OF PI3K S*BIO PTE LTD. (SG) 2011-01-13 US disclosed
US-20110009403-A1 2-MORPHOLINYLPURINES AS INHIBITORS OF PI3K S*BIO PTE LTD. (SG) 2011-01-13 US disclosed
US-20110009403-A1 2-MORPHOLINYLPURINES AS INHIBITORS OF PI3K S*BIO PTE LTD. (SG) 2011-01-13 US disclosed
EP-2209785-A1 2-MORPHOLINYLPURINES AS INHIBITORS OF PI3K S*BIO Pte Ltd (SG) 2010-07-28 EP disclosed
WO-2009045174-A1 2-MORPHOLINYLPURINES AS INHIBITORS OF PI3K S*BIO PTE LTD (SG) 2009-04-09 WO disclosed
WO-2009045174-A1 2-MORPHOLINYLPURINES AS INHIBITORS OF PI3K S*BIO PTE LTD (SG) 2009-04-09 WO 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 (1 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-20110009403-A1 2-MORPHOLINYLPURINES AS INHIBITORS OF PI3K PIK3CA, TPMT, MTOR MEN1 1682/4885LMNA 2639/4885KMT2A 1855/4885

“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.