SCHEMBL10050463

SCHEMBL10050463

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
PIK3R1 P27986 4/20 0.36
PIK3CA P42336 4/20 0.36
DHODH Q02127 3/20 0.35
MAOB P27338 1/20 0.34
TOP1 P11387 2/20 0.33
ALDH1A1 P00352 1/20 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
TRPV1 Q8NER1 1/20 0.32
DGAT1 O75907 2/20 0.32
KCNH2 Q12809 2/20 0.32
SOAT1 P35610 1/20 0.32
KIF11 P52732 2/20 0.32
CHUK O15111 1/20 0.32
TXNRD1 Q16881 1/20 0.32
NOX4 Q9NPH5 1/20 0.32
MYC P01106 1/20 0.31

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 1.00 KDM4E (0.37) KDM4EPIK3R1PIK3CADHODHMAOB
SCHEMBL10050450 0.92 PIK3R1 (0.39) KDM4EPIK3R1PIK3CADHODHMAOB
SCHEMBL10050465 0.91 KDM4E (0.46) KDM4EDHODH
SCHEMBL10050447 0.90 TOP1 (0.39) KDM4EPIK3R1PIK3CADHODHMAOB
SCHEMBL10050456 0.87 ALDH1A1 (0.36) KDM4EALDH1A1CYP2C19TRPV1KCNH2
SCHEMBL10050449 0.87 PIK3R1 (0.39) PIK3R1PIK3CA
SCHEMBL10050437 0.87 MYC (0.37) KDM4EMAOBTOP1ALDH1A1CYP1A2
SCHEMBL10050462 0.86 PDK2 (0.37) KDM4EPIK3R1PIK3CAMAOBALDH1A1
SCHEMBL10074515 0.86 KDM4E (0.41) KDM4EPIK3R1PIK3CADHODHMAOB
SCHEMBL10074507 0.86 KDM4E (0.41) KDM4EPIK3R1PIK3CADHODHMAOB

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 KDM4E 573/4885PIK3R1 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.