SCHEMBL10075609

SCHEMBL10075609

N#CC(C#N)=C1c2cc(-c3cccc(F)c3)ccc2-c2ccc(-c3cccc(F)c3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
PDK2 Q15119 2/20 0.44
TAAR1 Q96RJ0 3/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
CHEK2 O96017 1/20 0.38
PTPN1 P18031 1/20 0.38
PGR P06401 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
FFAR1 O14842 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL12117720 0.97 ESR2 (0.45) ESR2PDK2TAAR1MAPTPKM
SCHEMBL10075603 0.87 MAPT (0.45) PDK2MAPTPKMALDH1A1GAA
SCHEMBL10075613 0.85 MAPT (0.46) ESR2PDK2MAPTPKMALDH1A1
SCHEMBL12118013 0.84 MAPT (0.43) PDK2MAPTPKMALDH1A1GAA
SCHEMBL12148976 0.82 MAPT (0.44) ESR2PDK2MAPTPKMALDH1A1
SCHEMBL12118010 0.82 MAPT (0.44) ESR2PDK2MAPTPKMALDH1A1
SCHEMBL10050395 0.81 ESR2 (0.41) ESR2PDK2TAAR1PARP10PARP11
SCHEMBL10075608 0.81 ALDH1A1 (0.44) ESR2MAPTPKMALDH1A1GAA
SCHEMBL10075602 0.80 CTSS (0.43) PDK2MAPTPKMALDH1A1GAA
SCHEMBL10075612 0.80 MAPT (0.45) ESR2MAPTPKMALDH1A1GAA

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 ESR2 717/4885PDK2 2339/4885TAAR1 402/4885

“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.