SCHEMBL21660705

SCHEMBL21660705

c1ccc(-c2cccc(-n3cc4c5ccccc5nc-4c4ccccc43)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
POLB P06746 3/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
WNK1 Q9H4A3 1/20 0.43
TET2 Q6N021 1/20 0.40
TET1 Q8NFU7 1/20 0.40
PDE10A Q9Y233 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
HTR7 P34969 1/20 0.38
COMT P21964 3/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NQO2 P16083 1/20 0.37
GRM2 Q14416 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
SCHEMBL21660561 0.90 KDM4E (0.42) KDM4EPOLBCTDSP1WNK1PDE4A
SCHEMBL21660484 0.87 KDM4E (0.55) KDM4EPOLBCTDSP1PDE4APDE4B
SCHEMBL21660749 0.87 HDAC1 (0.47) KDM4EPOLBCTDSP1GAAALDH1A1
SCHEMBL21660634 0.83 KDM4E (0.43) KDM4EPOLBCTDSP1PDE4APDE4B
SCHEMBL21660638 0.83 ALOX5 (0.43) KDM4EPOLBCTDSP1WNK1PDE4A
SCHEMBL21660691 0.82 PTGER1 (0.38) KDM4EPOLBCTDSP1GAAALDH1A1
SCHEMBL21660712 0.81 KDM4E (0.44) KDM4EPOLBCTDSP1PDE4APDE4B
SCHEMBL21660686 0.81 KDM4E (0.41) KDM4EPOLBCTDSP1PDE4APDE4B
SCHEMBL21660489 0.81 KDM4E (0.41) KDM4EPOLBCTDSP1PDE4APDE4B
SCHEMBL21660564 0.81 KDM4E (0.45) KDM4EPOLBCTDSP1PDE4APDE4B

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
EP-3583104-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-06-09 EP disclosed
US-10923665-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-02-16 US disclosed
US-20200044162-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-06 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-10923665-B2 Materials for organic electroluminescent devices OR10J3, L1CAM, EPCAM KDM4E 1917/4885POLB 1900/4885CTDSP1 4722/4885
US-20200044162-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM KDM4E 1917/4885POLB 1900/4885CTDSP1 4722/4885

“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.