SCHEMBL842362

SCHEMBL842362

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc3ccccc3c(NCCCNC(=O)OC(C)(C)C)c2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSR P00390 3/20 0.42
KMT2A Q03164 2/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
CHRM1 P11229 1/20 0.41
BRD4 O60885 3/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL841392 0.87 EGFR (0.49) GSRKMT2ABCHEACHECHRM1
SCHEMBL3178520 0.81 APP (0.46) KMT2AMEN1GAA
Bromide SCHEMBL842321 0.80 TLR7 (0.45) KMT2A
SCHEMBL6094775 0.79 BRD4 (0.42) KMT2ABRD4MEN1
SCHEMBL8132565 0.78 MEN1 (0.49) KMT2ABCHEACHEBRD4MEN1
SCHEMBL562893 0.77 BRD4 (0.40) KMT2ABRD4NPC1RAB9A
SCHEMBL841682 0.76 MEN1 (0.49) KMT2ABCHEACHEBRD4MEN1
SCHEMBL4199059 0.76 EGFR (0.54) GSRKMT2ABCHEACHECHRM1
SCHEMBL4199068 0.76 EGFR (0.54) GSRKMT2ABCHEACHECHRM1
SCHEMBL4771491 0.76 ADORA2A (0.38) KMT2ABRD4

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-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 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 (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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 GSR 1411/4885KMT2A 1860/4885BCHE 3926/4885

“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.