SCHEMBL944935

SCHEMBL944935

COCCn1cnc2c(Cl)nc(Cl)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
CNR2 P34972 5/20 0.44
P2RY1 P47900 1/20 0.42
HSP90AA1 P07900 3/20 0.41
HSP90AB1 P08238 3/20 0.41
YTHDC1 Q96MU7 3/20 0.41
NR3C1 P04150 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL31237508 0.88 P2RX7 (0.48) P2RX7P2RY1HSP90AA1HSP90AB1YTHDC1
SCHEMBL183088 0.85 P2RX7 (0.44) P2RX7P2RY1HSP90AA1HSP90AB1YTHDC1
SCHEMBL18832304 0.84 P2RX7 (0.48) P2RX7HSP90AA1HSP90AB1YTHDC1PDE8A
SCHEMBL30332411 0.83 P2RX7 (0.49) P2RX7HSP90AA1HSP90AB1YTHDC1HDAC3
SCHEMBL5158596 0.83 P2RX7 (0.49) P2RX7HSP90AA1HSP90AB1YTHDC1HDAC3
SCHEMBL12537333 0.82 P2RX7 (0.50) P2RX7P2RY1HSP90AA1HSP90AB1YTHDC1
SCHEMBL22411550 0.81 P2RX7 (0.41) P2RX7CNR2P2RY1HSP90AA1HSP90AB1
SCHEMBL24476542 0.80 P2RX7 (0.45) P2RX7P2RY1YTHDC1HDAC3HDAC4
SCHEMBL11596967 0.80 FDPS (0.52) P2RX7NR3C1HDAC6
SCHEMBL11961126 0.80 P2RX7 (0.52) P2RX7P2RY1YTHDC1HDAC3HDAC4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 US disclosed
US-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 US disclosed
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY LLC 2011-06-02 US disclosed
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY LLC 2011-06-02 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
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 (2 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 P2RX7 319/4885CNR2 2062/4885P2RY1 166/4885
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS PI4KA, PIK3CA, PIKFYVE P2RX7 212/4885CNR2 3885/4885P2RY1 172/4885

“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.