SCHEMBL10074511

SCHEMBL10074511

N#CC(C#N)=C1c2ccccc2-c2nc3cc(-c4ccc(C#N)cc4)ccc3nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.43
MAOB P27338 1/20 0.40
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
MAP4K4 O95819 1/20 0.36
IDO1 P14902 1/20 0.36
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
PARP1 P09874 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
SCHEMBL10050462 0.85 PDK2 (0.37) PDK2MAOBPIK3R1PIK3CAMAP4K4
SCHEMBL10074515 0.84 KDM4E (0.41) PDK2MAOBPIK3R1PIK3CAALDH1A1
SCHEMBL10074507 0.84 KDM4E (0.41) PDK2MAOBPIK3R1PIK3CAALDH1A1
SCHEMBL10075458 0.84 MAOB (0.42) PDK2MAOBIDO1MEN1KMT2A
SCHEMBL2756401 0.82 ALDH1A1 (0.38) HTTRAB9ARXFP1MEN1PKM
SCHEMBL1754982 0.82 ALDH1A1 (0.38) HTTRAB9ARXFP1MEN1PKM
SCHEMBL19114900 0.81 PDK2 (0.40) PDK2MAOBMAP4K4PKMSCN10A
SCHEMBL24872857 0.80 ALDH1A1 (0.47) MAOBHTTRAB9ARXFP1MEN1
SCHEMBL10074505 0.79 PIK3R1 (0.42) PDK2PIK3R1PIK3CA
SCHEMBL10074709 0.78 USP8 (0.39) PDK2MAP4K4SCN10APARP1MMP3

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.