SCHEMBL17434110

SCHEMBL17434110

CCn1c(=O)c2cc(C(=O)O)cnc2n(CC)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 2/20 0.49
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
ALDH1A1 P00352 6/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 2/20 0.42
METAP2 P50579 1/20 0.42
MAPT P10636 3/20 0.39
PKM P14618 2/20 0.39
RXRA P19793 1/20 0.39
SRC P12931 1/20 0.39
ADORA1 P30542 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 2/20 0.39
MITF O75030 1/20 0.39
PAX8 Q06710 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38

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
SCHEMBL17433924 0.83 EEF2K (0.45) EEF2KADORA2AADORA2BALDH1A1HPGD
SCHEMBL17434370 0.78 PDE5A (0.41) HPGDLMNAPDE4APDE4BPDE4C
SCHEMBL17434387 0.77 EEF2K (0.52) EEF2KADORA2AADORA2BALDH1A1HPGD
SCHEMBL7145632 0.76 ALDH1A1 (0.60) ADORA2AADORA2BALDH1A1HPGDLMNA
SCHEMBL17434512 0.75 KDM4E (0.55) ALDH1A1HPGDMETAP2MAPTKDM4E
SCHEMBL17434127 0.72 EEF2K (0.42) EEF2KADORA2AADORA2BALDH1A1METAP2
SCHEMBL6517346 0.72 ALDH1A1 (0.56) ADORA2BALDH1A1HPGDLMNAMAPT
SCHEMBL11541422 0.71 SPR (0.46) ADORA2AADORA2BHPGDLMNAMAPT
SCHEMBL9038258 0.70 EEF2K (0.46) EEF2KADORA2AADORA2BALDH1A1HPGD
SCHEMBL21685875 0.70 NAPRT (0.39) LMNAMAPTPKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-05 US disclosed
US-20160229814-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-11 US disclosed
EP-2975031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-01-20 EP 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-20160229814-A1 HETEROCYCLIC COMPOUND RORB, RORC, RORA EEF2K 2197/4885ADORA2A 912/4885ADORA2B 795/4885

“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.