SCHEMBL945443

SCHEMBL945443

COCCn1cnc2c(-c3cccc(O)c3)nc(Cl)nc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
YTHDC1 Q96MU7 9/20 0.39
PIK3CA P42336 1/20 0.39
NR3C1 P04150 2/20 0.37
PDE8A O60658 1/20 0.36
P2RY1 P47900 1/20 0.36
CNR2 P34972 3/20 0.36
GLA P06280 1/20 0.36
CYP2C19 P33261 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL12537196 0.84 YTHDC1 (0.44) ALDH1A1CYP1A2CYP3A4HSD17B10CASP1
SCHEMBL944764 0.80 PIK3CA (0.60) ALDH1A1CYP1A2HSD17B10CASP1PIK3CA
SCHEMBL948660 0.79 P2RX7 (0.41) ALDH1A1CYP1A2HSD17B10YTHDC1CYP2C19
SCHEMBL946795 0.79 KDR (0.41) YTHDC1PIK3CAPDE8ACNR2
SCHEMBL17078391 0.76 CDK5 (0.52) PIK3CA
SCHEMBL944935 0.74 P2RX7 (0.46) YTHDC1NR3C1PDE8AP2RY1CNR2
SCHEMBL947819 0.72 XDH (0.47) ALDH1A1YTHDC1CYP2C19
SCHEMBL948659 0.72 CDK5 (0.38) YTHDC1PIK3CA
SCHEMBL12910231 0.69 PIK3CA (0.54) PIK3CA
SCHEMBL12537337 0.69 ADORA2B (0.40) ALDH1A1HSD17B10YTHDC1PDE8AP2RY1

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 ALDH1A1 3121/4885CYP1A2 2013/4885CYP3A4 2881/4885

“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.