SCHEMBL13657231

SCHEMBL13657231

O=Nc1cnc2nc(I)nc(N3CCOCC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.37
MTOR P42345 5/20 0.37
PIK3CD O00329 5/20 0.37
PIK3CG P48736 2/20 0.37
KDM4E B2RXH2 3/20 0.35
MAPT P10636 1/20 0.35
PIK3CB P42338 2/20 0.34
PRKDC P78527 2/20 0.34
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
NOS1 P29475 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13622706 0.85 SMN1; SMN2 (0.45) PIK3CAMTORPIK3CDPIK3CGKDM4E
SCHEMBL25719399 0.72 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CGKDM4E
SCHEMBL4127690 0.65 SMN1; SMN2 (0.48) PIK3CAMTORPIK3CDPIK3CGKDM4E
SCHEMBL25719380 0.64 ALDH1A1 (0.50) PIK3CAMTORKDM4EMAPTPOLB
SCHEMBL25719390 0.64 ALDH1A1 (0.50) PIK3CAMTORKDM4EMAPTPOLB
SCHEMBL15100272 0.64 KDM4E (0.69) KDM4EMAPTPOLBALDH1A1MAPK1
SCHEMBL4121635 0.63 ALDH1A1 (0.48) MAPTPOLBALDH1A1MAPK1HPGD
SCHEMBL13622702 0.63 KDM4E (0.48) PIK3CAMTORKDM4EMAPTPOLB
SCHEMBL12727108 0.62 PIK3CA (0.60) PIK3CAPIK3CDKDM4EMAPTALDH1A1
SCHEMBL14051357 0.61 KDM4E (0.40) PIK3CAPIK3CDPIK3CGKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US 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-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 PIK3CA 1307/4885MTOR 2052/4885PIK3CD 1684/4885

“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.