SCHEMBL21365348

SCHEMBL21365348

c1cncc(-c2cncc(-c3cccc(-n4c5ccncc5c5cnccc54)c3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
MEN1 O00255 1/20 0.44
PSIP1 O75475 1/20 0.44
AXL P30530 1/20 0.44
CYP2A6 P11509 3/20 0.43
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
GRM5 P41594 1/20 0.41
DHFR P00374 1/20 0.40
PGR P06401 1/20 0.40
KMO O15229 1/20 0.40
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
MAPT P10636 2/20 0.39
KCNH2 Q12809 1/20 0.39
AOC3 Q16853 1/20 0.39

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
SCHEMBL21365347 0.91 CYP2A6 (0.46) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL16356777 0.91 MAOA (0.38) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL5028455 0.89 MAOA (0.39) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL24493021 0.89 MAOA (0.42) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL21450716 0.89 MAPT (0.44) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL16356773 0.88 MAOA (0.36) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL24493047 0.87 CYP19A1 (0.40) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL16356770 0.87 CYP2A6 (0.47) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL22428445 0.86 MAOA (0.43) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL17264919 0.85 MAOA (0.36) MKNK1MKNK2MEN1PSIP1AXL

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-20190288219-A1 ORGANIC ELECTROLUMINESCENT ELEMENT MERCK PATENT GMBH (DE) 2019-09-19 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-20190288219-A1 ORGANIC ELECTROLUMINESCENT ELEMENT VDAC1, EPCAM, LAGE3 MKNK1 2808/4885MKNK2 3622/4885MEN1 1576/4885

“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.