SCHEMBL944808

SCHEMBL944808

COCCn1cnc2c(-c3ccc4cc[nH]c4c3)nc(N3CCOCC3)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.49
PIK3R1 P27986 4/20 0.45
MTOR P42345 2/20 0.44
HDAC1 Q13547 7/20 0.44
CYP1A2 P05177 7/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 6/20 0.43
CASP1 P29466 6/20 0.43
CASP7 P55210 6/20 0.43
HSD17B10 Q99714 6/20 0.43
USP2 O75604 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HIF1A Q16665 1/20 0.43
HDAC3 O15379 4/20 0.42
HDAC4 P56524 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42

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
SCHEMBL8083480 0.89 PIK3CA (0.48) PIK3CAPIK3R1MTORHDAC1HDAC3
SCHEMBL12910204 0.86 PIK3CA (0.44) PIK3CAPIK3R1MTORHDAC1HDAC3
SCHEMBL12910205 0.85 PIK3CA (0.47) PIK3CAPIK3R1HDAC1HDAC3HDAC4
SCHEMBL12910202 0.84 ATR (0.48) PIK3CAPIK3R1MTORHDAC1HDAC3
SCHEMBL12910182 0.84 PDE10A (0.48) PIK3CAPIK3R1MTORHDAC1KMT2A
SCHEMBL12910192 0.83 ALDH1A1 (0.49) PIK3CAHDAC1CYP1A2TSHRALDH1A1
SCHEMBL12945576 0.83 PIK3CA (0.56) PIK3CAMTOR
SCHEMBL944764 0.83 PIK3CA (0.60) PIK3CAMTORHDAC1CYP1A2ALDH1A1
SCHEMBL12910556 0.82 CSNK1E (0.44) PIK3CAMTORHDAC1HDAC3HDAC4
SCHEMBL946795 0.82 KDR (0.41) PIK3CAMTOR

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-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

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 PIK3CA 1/4885PIK3R1 36/4885MTOR 3/4885

“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.