SCHEMBL10050447

SCHEMBL10050447

[C-]#[N+]/C(C#N)=C1\c2ccccc2-c2nc3cc(-c4ccc(C(F)(F)F)cc4)c(-c4ccccc4)cc3nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DHODH Q02127 2/20 0.35
KIF11 P52732 1/20 0.35
BACE1 P56817 1/20 0.34
MAOB P27338 1/20 0.34
LTB4R Q15722 1/20 0.34
MET P08581 2/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DGAT1 O75907 1/20 0.32
KCNH2 Q12809 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
SCHEMBL10050450 0.98 PIK3R1 (0.39) TOP1PIK3R1PIK3CAALDH1A1MAPT
SCHEMBL10050463 0.90 KDM4E (0.37) TOP1PIK3R1PIK3CAALDH1A1DHODH
SCHEMBL10050460 0.90 KDM4E (0.37) TOP1PIK3R1PIK3CAALDH1A1DHODH
SCHEMBL10050465 0.87 KDM4E (0.46) DHODHKDM4E
SCHEMBL10050437 0.87 MYC (0.37) TOP1ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL10074513 0.86 TOP1 (0.43) TOP1PIK3R1PIK3CAALDH1A1MAPT
SCHEMBL10050467 0.83 PIK3R1 (0.33) PIK3R1PIK3CA
SCHEMBL2706879 0.83 MYC (0.35) TOP1PIK3R1PIK3CAALDH1A1MAPT
SCHEMBL10074512 0.83 PIK3R1 (0.42) TOP1PIK3R1PIK3CAALDH1A1MAPT
SCHEMBL10050456 0.83 ALDH1A1 (0.36) ALDH1A1MAPTKDM4ECYP2C19KCNH2

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 TOP1 3532/4885PIK3R1 4703/4885PIK3CA 4322/4885

“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.