SCHEMBL10050441

SCHEMBL10050441

[C-]#[N+]/C(C#N)=C1\c2ccccc2-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.37
ADORA2A P29274 2/20 0.37
MAPK14 Q16539 2/20 0.35
MAPK10 P53779 1/20 0.35
ADORA2B P29275 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MYC P01106 1/20 0.33
WDR5 P61964 1/20 0.33
ALDH1A3 P47895 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
SQOR Q9Y6N5 2/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL10050435 0.87 MAOB (0.38) MAPK14MEN1KMT2AALDH1A3PTGDR2
SCHEMBL10050437 0.86 MYC (0.37) MAPK14MEN1KMT2AMYCWDR5
SCHEMBL10050448 0.84 MAPT (0.34) ADORA1ADORA2AMEN1KMT2AALDH1A3
SCHEMBL10074367 0.82 ADORA1 (0.41) ADORA1ADORA2AMAPK14MAPK10ADORA2B
SCHEMBL2705378 0.81 USP8 (0.43) ADORA1ADORA2AMAPT
SCHEMBL10050440 0.81 RORB (0.34) ADORA1ADORA2AMEN1KMT2AMAPT
SCHEMBL2704127 0.80 RAB9A (0.34) MAPK10MEN1KMT2AMAPTALDH1A1
SCHEMBL2704133 0.80 RAB9A (0.34) MAPK10MEN1KMT2AMAPTALDH1A1
SCHEMBL10050442 0.79 ADORA2A (0.41) ADORA1ADORA2AMAPK14MAPTMAOB
SCHEMBL10050436 0.79 AR (0.50)

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 ADORA1 2796/4885ADORA2A 4134/4885MAPK14 3149/4885

“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.