SCHEMBL16218754

SCHEMBL16218754

[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc(Br)c3)nc3cccnc23)c([2H])c1[2H]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.38
PIK3CD O00329 4/20 0.38
PIK3CG P48736 4/20 0.38
BIRC5 O15392 1/20 0.37
MTOR P42345 3/20 0.37
GRM5 P41594 1/20 0.36
EGFR P00533 1/20 0.36
TOP1 P11387 1/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
ABCB1 P08183 1/20 0.35
NPC1 O15118 2/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL16218753 0.86 CYP1B1 (0.39) PIK3CAPIK3CDPIK3CGMTORTOP1
SCHEMBL15003678 0.86 TOP1 (0.46) PIK3CAPIK3CDPIK3CGBIRC5MTOR
SCHEMBL15003682 0.84 TOP1 (0.43) PIK3CAPIK3CDPIK3CGBIRC5MTOR
SCHEMBL15003680 0.82 TOP1 (0.43) PIK3CAPIK3CDPIK3CGBIRC5MTOR
SCHEMBL15003672 0.82 BIRC5 (0.45) PIK3CAPIK3CDPIK3CGBIRC5MTOR
SCHEMBL31571521 0.81 ABCG2 (0.48) BIRC5ABCG2ABCB1NPC1HTT
SCHEMBL16218729 0.81 ABCG2 (0.48) BIRC5ABCG2ABCB1NPC1HTT
SCHEMBL15003679 0.81 BIRC5 (0.46) PIK3CAPIK3CDPIK3CGBIRC5MTOR
SCHEMBL16218747 0.81 ABCG2 (0.46) PIK3CAPIK3CDPIK3CGMTORGRM5
SCHEMBL19901873 0.79 BIRC5 (0.38) PIK3CAPIK3CDPIK3CGBIRC5MTOR

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-9716236-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-07-25 US disclosed
US-20160293851-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-10-06 US disclosed
US-20160276599-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-09-22 US disclosed
US-9373806-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2016-06-21 US disclosed
US-20140332793-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-11-13 US disclosed
US-20140326987-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-11-06 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 (2 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-20160293851-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, GPX1, LEF1 PIK3CA 3120/4885PIK3CD 3978/4885PIK3CG 3915/4885
US-20160276599-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, GPX1, LEF1 PIK3CA 3120/4885PIK3CD 3978/4885PIK3CG 3915/4885

“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.