SCHEMBL3285589

SCHEMBL3285589

Cn1c(=O)[nH]c2cccc(Nc3ccc(Cl)cc3)c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ERBB2 P04626 1/20 0.42
LMNA P02545 3/20 0.40
PGR P06401 1/20 0.40
PABPC1 P11940 1/20 0.40
MAOB P27338 2/20 0.39
DPP4 P27487 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
ALOX5 P09917 1/20 0.37
DAO P14920 1/20 0.37
PSMB8 P28062 1/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 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
SCHEMBL3285681 0.85 MAPT (0.51) MEN1KMT2ALMNAHTTNPC1
SCHEMBL3285095 0.83 TUBB4A (0.39) MEN1KMT2ALMNAADORA3ADORA2A
SCHEMBL2085819 0.76 ADORA3 (0.45) MEN1KMT2ALMNAPGRPABPC1
SCHEMBL25122976 0.74 MEN1 (0.51) MEN1KMT2ALMNADPP4ADORA3
SCHEMBL5956570 0.72 ERCC1 (0.48) LMNAADORA3ADORA2AADORA2BADORA1
SCHEMBL3285641 0.71 HTR1A (0.44) MEN1KMT2ALMNADPP4ADORA3
SCHEMBL5307016 0.69 MEN1 (1.00) MEN1KMT2ALMNAHTT
SCHEMBL13015480 0.69 DAO (0.66) MEN1KMT2ALMNAPGRDPP4
SCHEMBL3284861 0.69 CRHR1 (0.42) MEN1KMT2ALMNAPGRPABPC1
SCHEMBL13459595 0.68 ADORA3 (0.37) MEN1KMT2ALMNADPP4ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-14 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-20070135452-A1 Nitrogen-containing fused heterocyclic compounds NPY4R, NR4A3, NR3C2 MEN1 1568/4885KMT2A 1660/4885ERBB2 328/4885

“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.