SCHEMBL10075600

SCHEMBL10075600

N#CN=C1c2cc(-c3ccc(C#N)cc3)ccc2-c2ccc(-c3ccc(C#N)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.42
KIF11 P52732 3/20 0.40
PDK2 Q15119 1/20 0.39
PGR P06401 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAP4K4 O95819 2/20 0.36
CYP11B2 P19099 3/20 0.36
HRH3 Q9Y5N1 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
STS P08842 1/20 0.34
MMP2 P08253 1/20 0.34
PLAU P00749 1/20 0.34
FLT3 P36888 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
SCHEMBL10050383 0.88 MMP3 (0.34) MMP3KIF11PDK2PGRCA12
SCHEMBL10050379 0.82 CYP11B2 (0.37) PDK2PGRCYP11B2GABRG2GABRB3
SCHEMBL10050369 0.78 KIF11 (0.47) KIF11
SCHEMBL10074360 0.78 USP8 (0.42) MMP3PDK2PGRMAP4K4GABRA1
SCHEMBL10050375 0.77 PGR (0.35) PGRMAP4K4CYP11B2
SCHEMBL10050377 0.77 GABRG2 (0.34) KIF11CYP11B2GABRG2GABRB3GABRA5
SCHEMBL10195819 0.76 PDK2 (0.41) PDK2CA1CA2CYP11B2
SCHEMBL10050382 0.76 ESR1 (0.33) KIF11CYP11B2
SCHEMBL10050378 0.75 TAAR1 (0.43) PDK2PGRMAP4K4CYP11B2GABRG2
SCHEMBL10050376 0.73 RXRA (0.38) KIF11CYP11B2

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 MMP3 4451/4885KIF11 2450/4885PDK2 2339/4885

“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.