SCHEMBL10074512

SCHEMBL10074512

N#CC(C#N)=C1c2ccccc2-c2nc3cc(-c4ccc(C(F)(F)F)cc4)c(-c4ccc(C(F)(F)F)cc4)cc3nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.42
PIK3CA P42336 2/20 0.42
TOP1 P11387 2/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHUK O15111 1/20 0.36
TXNRD1 Q16881 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
PTPN5 P54829 1/20 0.34
DHODH Q02127 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
SCHEMBL10074513 0.98 TOP1 (0.43) PIK3R1PIK3CATOP1MAOBKDM4E
SCHEMBL10074515 0.91 KDM4E (0.41) PIK3R1PIK3CATOP1MAOBKDM4E
SCHEMBL10074507 0.91 KDM4E (0.41) PIK3R1PIK3CATOP1MAOBKDM4E
SCHEMBL10074714 0.88 KDM4E (0.51) KDM4EDHODH
SCHEMBL10075466 0.87 MYC (0.40) TOP1MAOBKDM4EALDH1A1CYP1A2
SCHEMBL10050450 0.85 PIK3R1 (0.39) PIK3R1PIK3CATOP1MAOBKDM4E
SCHEMBL13207420 0.84 KIF11 (0.38) PIK3R1PIK3CATOP1KDM4EMYC
SCHEMBL16002368 0.84 KIF11 (0.38) PIK3R1PIK3CATOP1KDM4EMYC
SCHEMBL10050447 0.83 TOP1 (0.39) PIK3R1PIK3CATOP1MAOBKDM4E
SCHEMBL1755063 0.83 MYC (0.39) PIK3R1PIK3CATOP1KDM4EALDH1A1

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

“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.