SCHEMBL22498078

SCHEMBL22498078

COc1cc2nc(C3COCCO3)cn2cc1N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.32
SUV39H2 Q9H5I1 14/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
APLNR P35414 2/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 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
SCHEMBL22498206 1.00 MTOR (0.32) MTORSUV39H2TLR9TLR7APLNR
SCHEMBL22498032 0.85 SUV39H2 (0.38) SUV39H2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL22235239 0.76 SUV39H2 (0.39) SUV39H2TLR9TLR7KDM4ENPC1
SCHEMBL29085358 0.73 IRAK4 (0.47) MTORAPLNR
SCHEMBL27191644 0.72 IRAK4 (0.46) MTOR
SCHEMBL29381644 0.70 IRAK4 (0.56)
SCHEMBL24033637 0.70 ALDH1A1 (0.39) SUV39H2TLR9TLR7KDM4ENPC1
SCHEMBL30259001 0.69 APLNR (0.35) SUV39H2TLR9TLR7APLNRKDM4E
Hydrochloric Acid SCHEMBL31600043 0.68 ALDH1A1 (0.38) SUV39H2TLR9TLR7KDM4ENPC1
SCHEMBL3299736 0.68 POLB (0.43) SUV39H2TLR9TLR7KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220296573-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2022-09-22 US disclosed
EP-3947374-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2022-02-09 EP disclosed
WO-2020200898-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-10-08 WO disclosed
WO-2020200898-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-10-08 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-20220296573-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS LTB4R2, LTC4S, LTB4R MTOR 897/4885SUV39H2 3307/4885TLR9 580/4885

“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.