SCHEMBL22109491

SCHEMBL22109491

N#CC(C#N)=C1c2cc3ccccc3cc2-c2c1ccc1c2C(=O)c2cc3ccccc3cc2-1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPRT1 P00492 1/20 0.36
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
SOS1 Q07889 1/20 0.34
HIF1A Q16665 1/20 0.34
EGFR P00533 3/20 0.32
IDO1 P14902 1/20 0.32
MCL1 Q07820 1/20 0.31
DNMT1 P26358 1/20 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
SCHEMBL22109421 0.88 MAPT (0.40) MAPTPKMALDH1A1GAAMEN1
SCHEMBL22109488 0.86 MAPT (0.40) MAPTPKMALDH1A1GAAMEN1
SCHEMBL21938951 0.80 MAPT (0.42) MAPTPKMALDH1A1GAAMEN1
SCHEMBL22109492 0.78 MAPT (0.35) MAPTPKMALDH1A1GAAMEN1
SCHEMBL22109223 0.77 MAPT (0.46) MAPTPKMALDH1A1GAAMEN1
SCHEMBL22109132 0.77 MAPT (0.39) MAPTPKMALDH1A1GAAMEN1
SCHEMBL22109130 0.77 MAPT (0.39) MAPTPKMALDH1A1GAAMEN1
SCHEMBL22109220 0.77 MAPT (0.46) MAPTPKMALDH1A1GAAMEN1
SCHEMBL22109212 0.77 ALDH1A1 (0.34) MAPTPKMALDH1A1GAAUSP8
SCHEMBL470766 0.76 ALDH1A1 (0.38) MAPTPKMALDH1A1GAAMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767299-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-09-26 US disclosed
US-11767299-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-09-26 US disclosed
US-20200190039-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-06-18 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 (2 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-20200190039-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM MAPT 1878/4885PKM 1122/4885ALDH1A1 33/4885
US-11767299-B2 Materials for organic electroluminescent devices L1CAM, EFNA1, EPCAM MAPT 1878/4885PKM 1122/4885ALDH1A1 33/4885

“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.