SCHEMBL5139518

SCHEMBL5139518

Nc1nc2c(c3c1ncn3CC=CO)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 8/20 0.35
CHRNE Q04844 1/20 0.32
ACHE P22303 4/20 0.32
TLR7 Q9NYK1 2/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
BPTF Q12830 1/20 0.31
BCHE P06276 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8126995 0.79 ADORA2A (0.46) CHRNEACHETLR7MEN1MAPK1
SCHEMBL7006782 0.78 TLR7 (0.55) CHRNEACHETLR7MEN1MAPK1
SCHEMBL3176199 0.78 TK1 (0.43) CHRNEACHETLR7ADORA2A
SCHEMBL8114300 0.77 CSNK2A2 (0.43) CHRNEACHETLR7MEN1MAPK1
SCHEMBL2059204 0.77 TLR7 (0.53) ACHETLR7MEN1KMT2ACDK1
SCHEMBL8113946 0.77 TLR7 (0.54) CHRNEACHETLR7MEN1MAPK1
SCHEMBL7551424 0.76 CHRNE (0.33) CHRNEACHETLR7MEN1MAPK1
SCHEMBL8113726 0.76 TLR7 (0.52) ACHETLR7MEN1KMT2ACDK1
SCHEMBL8121668 0.76 ADORA2A (0.46) MEN1KMT2ACDK1CCNB1CCNE1
SCHEMBL3817534 0.76 ACHE (0.34) ACHEMEN1MAPK1KMT2ABPTF

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-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-17 US disclosed
WO-2005123079-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-29 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-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines IL2, EIF2AK2, IL4 AHCY 865/4885CHRNE 3076/4885ACHE 2948/4885

“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.