SCHEMBL15029646

SCHEMBL15029646

O=[N+]([O-])c1ccc(CNc2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 17/20 0.59
PIK3CA P42336 14/20 0.53
PIK3CD O00329 13/20 0.53
PIK3CG P48736 12/20 0.53
PIK3R1 P27986 4/20 0.53
PIK3C2B O00750 1/20 0.53
MTOR P42345 1/20 0.53
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
APAF1 O14727 1/20 0.47
NSD2 O96028 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
CASP3 P42574 1/20 0.47
GALK1 P51570 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL15029786 0.89 PIK3CB (0.67) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL15029400 0.87 PIK3CB (0.64) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL15029648 0.87 PIK3CB (0.64) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL16308216 0.86 PIK3CB (0.63) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL15029892 0.82 PIK3CB (0.62) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL16308219 0.80 PIK3CB (0.58) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL15029396 0.80 PIK3CB (0.54) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL15029393 0.80 PIK3CB (0.54) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL16308218 0.80 PIK3CB (0.54) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL16308217 0.79 PIK3CB (0.54) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604601-B1 HETERO RING COMPOUND ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-20130150364-A1 HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-13 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-20130150364-A1 HETEROCYCLIC COMPOUND IL2, NFATC1, ICOS PIK3CB 16/4885PIK3CA 28/4885PIK3CD 6/4885

“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.