SCHEMBL948660

SCHEMBL948660

CCOC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
YTHDC1 Q96MU7 5/20 0.40
CSNK1D P48730 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL944931 0.82 PIK3CA (0.54)
SCHEMBL945443 0.79 ALDH1A1 (0.40) YTHDC1ALDH1A1HSD17B10CYP1A2CYP2C19
SCHEMBL3273445 0.79 ADORA2A (0.48)
SCHEMBL22411464 0.78 RAB9A (0.47) P2RX7RAB9AKDM4ENPC1RXFP1
SCHEMBL945437 0.78 P2RX7 (0.56) P2RX7RAB9AKDM4ENPC1RXFP1
SCHEMBL948659 0.76 CDK5 (0.38) KDM4ENPC1YTHDC1HTTPOLB
SCHEMBL1655500 0.75 P2RX7 (0.45) P2RX7RAB9AKDM4ENPC1RXFP1
SCHEMBL22412900 0.75 MAPK8 (0.45) RAB9AKDM4EYTHDC1MAPTMEN1
SCHEMBL12910206 0.73 PIK3CA (0.53)
SCHEMBL17078391 0.73 CDK5 (0.52) NPC1POLB

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 P2RX7 319/4885RAB9A 936/4885KDM4E 2100/4885

“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.