SCHEMBL22012016

SCHEMBL22012016

c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6c7c(ccc8c7c7ccccc7n8-c7ccccc7)ccc6n(-c6ccccc6)c5c43)nc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
LMNA P02545 1/20 0.39
ATM Q13315 2/20 0.38
NUDT1 P36639 2/20 0.34
ADORA2A P29274 1/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 4/20 0.33
HTT P42858 1/20 0.33
CFTR P13569 1/20 0.33
MEN1 O00255 3/20 0.33

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
SCHEMBL24171403 0.97 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL24171409 0.93 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17990563 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17990572 0.90 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17932815 0.90 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL18593807 0.90 KDM4E (0.46) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17990564 0.90 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL19573669 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17990570 0.89 KDM4E (0.45) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17299526 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 EP disclosed
US-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-01-06 US disclosed
WO-2020099307-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-22 WO 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-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES ZYX, RER1, AOC2 ALDH1A1 1119/4885KDM4E 1792/4885HPGD 3659/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 ALDH1A1 1119/4885KDM4E 1792/4885HPGD 3659/4885

“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.