SCHEMBL21742564

SCHEMBL21742564

Cc1cccc2c1c1cc(-c3ccncc3)ccc1n2-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GRK2 P25098 1/20 0.36
HSD17B10 Q99714 2/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
CYP17A1 P05093 1/20 0.36

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
SCHEMBL19011136 0.91 L3MBTL1 (0.44) KDM4EATML3MBTL1MEN1HSP90AA1
SCHEMBL14900744 0.89 KDM4E (0.46) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL19011150 0.87 KDM4E (0.51) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL21742511 0.86 CHEK1 (0.41) KDM4EL3MBTL1MKNK1MEN1MAPT
SCHEMBL21742505 0.86 ATM (0.38) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL21742841 0.85 KDM4E (0.39) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL21742502 0.84 JAK2 (0.35) KDM4EATML3MBTL1MAPTNPC1
SCHEMBL21742639 0.82 GRM5 (0.41) KDM4EATML3MBTL1JAK2JAK3
SCHEMBL19933769 0.82 KDM4E (0.56) KDM4EATML3MBTL1MKNK1MEN1
SCHEMBL21742779 0.82 L3MBTL1 (0.39) KDM4EATML3MBTL1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR KDM4E 3201/4885ATM 1504/4885L3MBTL1 2878/4885

“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.