SCHEMBL946795

SCHEMBL946795

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.41
PIK3CD O00329 2/20 0.41
ABL1 P00519 2/20 0.41
EGFR P00533 2/20 0.41
HCK P08631 2/20 0.41
SRC P12931 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
MTOR P42345 2/20 0.41
PIK3CG P48736 2/20 0.41
EPHB4 P54760 2/20 0.41
PRKDC P78527 2/20 0.41
DNPH1 O43598 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
BRAF P15056 1/20 0.38
CNR2 P34972 4/20 0.37
CDK1 P06493 3/20 0.36
CHRNA7 P36544 2/20 0.35
KCNH2 Q12809 2/20 0.35

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
SCHEMBL944808 0.82 PIK3CA (0.49) PIK3CAMTOR
SCHEMBL945443 0.79 ALDH1A1 (0.40) PIK3CACNR2YTHDC1PDE8A
SCHEMBL12537196 0.74 YTHDC1 (0.44) PIK3CDYTHDC1
SCHEMBL944935 0.73 P2RX7 (0.46) CNR2CDK1YTHDC1PDE8A
SCHEMBL14296963 0.71 CCNK (0.47) KDRPIK3CDABL1EGFRHCK
SCHEMBL1656940 0.71 KDR (0.46) KDRPIK3CDABL1EGFRHCK
SCHEMBL14250346 0.70 YTHDC1 (0.54) KDRPIK3CDABL1EGFRHCK
SCHEMBL12537322 0.69 CDK8 (0.42) KDRPIK3CDABL1EGFRHCK
SCHEMBL8083480 0.69 PIK3CA (0.48) PIK3CAMTORPIK3CGCTSLCTSB
SCHEMBL14325223 0.69 AHR (0.41) KDRPIK3CDABL1EGFRHCK

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 KDR 3022/4885PIK3CD 5/4885ABL1 316/4885

“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.