SCHEMBL21622880

SCHEMBL21622880

c1ccc2c(c1)[nH]c1c2ccc2c1nc1ccccn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
HSD17B10 Q99714 4/20 0.53
NPC1 O15118 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 2/20 0.53
TP53 P04637 1/20 0.53
MAPK10 P53779 1/20 0.53
GABRA1 P14867 3/20 0.50
GABRG2 P18507 3/20 0.50
GABRB3 P28472 3/20 0.50
GABRA3 P34903 3/20 0.50
GABRA2 P47869 3/20 0.50
PARP1 P09874 1/20 0.46
KIF11 P52732 2/20 0.45
CYP1A2 P05177 2/20 0.42
CYP1A1 P04798 1/20 0.42
KEAP1 Q14145 1/20 0.42
CYP1B1 Q16678 1/20 0.42
GABRP O00591 2/20 0.41

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
SCHEMBL21622755 0.80 GABRA1 (0.64) KDM4EHSD17B10NPC1MEN1KMT2A
SCHEMBL21622768 0.77 KDM4E (0.53) KDM4EHSD17B10NPC1MEN1KMT2A
SCHEMBL18934280 0.74 KIF11 (0.45) KDM4EHSD17B10MEN1KMT2AGABRA1
SCHEMBL10349259 0.74 PARP1 (0.68) KDM4EHSD17B10NPC1MEN1KMT2A
SCHEMBL30966873 0.73 KDM4E (0.47) KDM4EHSD17B10NPC1MEN1KMT2A
SCHEMBL10062341 0.73 KDM4E (0.47) KDM4EHSD17B10NPC1MEN1KMT2A
SCHEMBL17033418 0.73 KIF11 (0.44) KDM4EHSD17B10MEN1KMT2AGABRA1
SCHEMBL23533799 0.73 PARP1 (0.47) KDM4EHSD17B10NPC1MEN1KMT2A
SCHEMBL21622769 0.71 KDM4E (0.54) KDM4EHSD17B10NPC1MEN1KMT2A
SCHEMBL21622742 0.71 KDM4E (0.54) KDM4EHSD17B10NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11581497-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 US disclosed
EP-3820966-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-08 EP disclosed
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-14 US disclosed
WO-2020011686-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-01-16 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-11581497-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM KDM4E 2132/4885HSD17B10 3308/4885NPC1 3299/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM KDM4E 2132/4885HSD17B10 3308/4885NPC1 3299/4885

“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.