SCHEMBL10050440

SCHEMBL10050440

[C-]#[N+]/C(C#N)=C1\c2ccccc2-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORB Q92753 3/20 0.34
RORC P51449 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 2/20 0.33
POLB P06746 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSS P25774 2/20 0.32
MAOB P27338 2/20 0.32
CTSK P43235 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
RXRA P19793 2/20 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
SCHEMBL10050442 0.91 ADORA2A (0.41) RORBRORCCTSSMAOBCTSK
SCHEMBL10050437 0.89 MYC (0.37) MEN1KMT2ACYP1A2POLBCYP2C19
SCHEMBL10050446 0.87 ATR (0.36) RORBRORCMEN1KMT2ACYP1A2
SCHEMBL2706779 0.86 CTSS (0.34) CTSSCTSKRXRARXRBRXRG
SCHEMBL10050450 0.83 PIK3R1 (0.39) CYP1A2POLBCYP2C19SMN1; SMN2MAOB
SCHEMBL10050465 0.83 KDM4E (0.46) KDM4E
SCHEMBL2706870 0.82 CTSS (0.40) CTSSMAOBCTSKADORA2AADORA1
SCHEMBL2706844 0.82 KDM4E (0.33) CTSSCTSKKDM4E
SCHEMBL10050436 0.81 AR (0.50) RXRARXRBRXRG
SCHEMBL10050463 0.81 KDM4E (0.37) CYP1A2POLBCYP2C19MAOBKDM4E

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 RORB 4000/4885RORC 3858/4885MEN1 658/4885

“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.