SCHEMBL10050462

SCHEMBL10050462

[C-]#[N+]/C(C#N)=C1\c2ccccc2-c2nc3cc(-c4ccc(C#N)cc4)ccc3nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
MAOB P27338 1/20 0.36
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 2/20 0.33
IDO1 P14902 1/20 0.33
MAP4K4 O95819 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.32
HTT P42858 2/20 0.32
RAB9A P51151 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
GSK3B P49841 1/20 0.32
CSNK1G2 P78368 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10050460 0.86 KDM4E (0.37) PDK2MAOBPIK3R1PIK3CAALDH1A1
SCHEMBL10050463 0.86 KDM4E (0.37) PDK2MAOBPIK3R1PIK3CAALDH1A1
SCHEMBL10050435 0.86 MAOB (0.38) PDK2MAOBIDO1MEN1KMT2A
SCHEMBL10074511 0.85 PDK2 (0.43) PDK2MAOBPIK3R1PIK3CAIDO1
SCHEMBL2704127 0.84 RAB9A (0.34) HTTRAB9ARXFP1MEN1KMT2A
SCHEMBL2704133 0.84 RAB9A (0.34) HTTRAB9ARXFP1MEN1KMT2A
SCHEMBL10050449 0.81 PIK3R1 (0.39) PIK3R1PIK3CA
SCHEMBL10050454 0.80 PIK3CA (0.38) PIK3R1PIK3CA
SCHEMBL10050445 0.79 ATR (0.40) PDK2MAOBIDO1SCN10AGABRA1
SCHEMBL10050458 0.79 ATR (0.40) PDK2MAOBIDO1SCN10AGABRA1

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-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 PDK2 2339/4885MAOB 1019/4885PIK3R1 4703/4885

“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.