SCHEMBL5139514

SCHEMBL5139514

C=CC(O)n1cnc2c(N)nc3c(c21)CCCC3

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ACHE P22303 12/20 0.32
MAPK1 P28482 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BPTF Q12830 1/20 0.31
BCHE P06276 7/20 0.31
GRIN1 Q05586 4/20 0.31
GRIN2A Q12879 4/20 0.31
HSD17B10 Q99714 4/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
CYP2C19 P33261 2/20 0.31
CACNB4 O00305 1/20 0.31
CACNA1A O00555 1/20 0.31

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
SCHEMBL8113289 0.79 ADORA2A (0.46) NOS3NOS1NOS2ACHEMAPK1
SCHEMBL6031765 0.76 ACHE (0.39) NOS3NOS1NOS2ACHEMAPK1
SCHEMBL5139741 0.73 TLR7 (0.52) ADORA3KCNH2LMNA
SCHEMBL13921708 0.73 CDK1 (0.41) NOS3NOS1NOS2ACHEMAPK1
SCHEMBL5139518 0.70 AHCY (0.35) NOS3NOS1NOS2ACHEMAPK1
SCHEMBL2059204 0.69 TLR7 (0.53) NOS3NOS1NOS2ACHEMEN1
SCHEMBL8126995 0.68 ADORA2A (0.46) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL7551424 0.68 CHRNE (0.33) NOS3NOS1NOS2ACHEMAPK1
SCHEMBL8113726 0.68 TLR7 (0.52) NOS3NOS1NOS2ACHEMEN1
SCHEMBL8124044 0.68 HSD17B10 (0.44) ACHEMAPK1BCHEGRIN1GRIN2A

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 NOS3 1047/4885NOS1 2208/4885NOS2 835/4885

“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.