SCHEMBL22648994

SCHEMBL22648994

N#Cc1c(-c2ccccc2)c(C#N)c(-n2ccc3ccccc32)c(C#N)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ BIRC5 O15392 1/20 0.39
▸ ADORA2A P29274 4/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PRKD3 O94806 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ PRKCB P05771 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ PRKACG P22612 1/20 0.38
▸ PRKACB P22694 1/20 0.38
▸ PRKCH P24723 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ PRKCE Q02156 1/20 0.38

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
SCHEMBL19269126 0.90 BIRC5 (0.46) ALDH1A1KDM4EBIRC5HPGDPRKD3
SCHEMBL19270119 0.84 BIRC5 (0.54) ALDH1A1KDM4ELMNARXFP1NPSR1
SCHEMBL21973196 0.83 ENPP3 (0.39) ALDH1A1KDM4ELMNARXFP1NPSR1
SCHEMBL19268492 0.83 BIRC5 (0.53) ALDH1A1KDM4ELMNARXFP1NPSR1
SCHEMBL13483674 0.80 BIRC5 (0.46) ALDH1A1LMNABIRC5HPGDPRKD3
SCHEMBL20596117 0.77 BIRC5 (0.38) ALDH1A1KDM4ELMNARXFP1NPSR1
SCHEMBL20596442 0.76 ENPP3 (0.39) ALDH1A1KDM4ELMNARXFP1NPSR1
SCHEMBL12681373 0.75 ALDH1A1 (0.55) ALDH1A1KDM4ELMNARXFP1NPSR1
SCHEMBL16127476 0.74 HTR3A (0.44) ALDH1A1KDM4ELMNARXFP1NPSR1
SCHEMBL14567410 0.74 BIRC5 (0.38) ALDH1A1KDM4EBIRC5HPGDPRKD3

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
EP-3700909-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-01-24 — — EP disclosed
US-20200358005-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-11-12 — — 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-20200358005-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, L1CAM, EFNA1 ALDH1A1 35/4885KDM4E 2430/4885LMNA 2613/4885

“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.

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