SCHEMBL22957571

SCHEMBL22957571

Nc1c(C(=O)O)sc2nc(CO)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.54
LIMK1 P53667 3/20 0.49
IKBKB O14920 1/20 0.49
USP28 Q96RU2 2/20 0.48
USP25 Q9UHP3 2/20 0.48
RAB9A P51151 10/20 0.48
NPC1 O15118 9/20 0.48
KDM4E B2RXH2 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 7/20 0.47
ALDH1A1 P00352 7/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
POLB P06746 2/20 0.42
TLR9 Q9NR96 2/20 0.41

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
SCHEMBL19212248 0.87 ADORA2A (0.60) ADORA2ALIMK1IKBKBUSP28USP25
SCHEMBL14955421 0.84 ADORA2A (0.75) ADORA2ALIMK1IKBKBUSP28USP25
SCHEMBL22957572 0.83 KDM4E (0.57) RAB9ANPC1KDM4ESMN1; SMN2HPGD
SCHEMBL30968438 0.78 LIMK1 (0.51) ADORA2ALIMK1IKBKBRAB9ANPC1
SCHEMBL19212039 0.78 LIMK1 (0.77) ADORA2ALIMK1IKBKBUSP28USP25
SCHEMBL8091104 0.78 LIMK1 (0.51) ADORA2ALIMK1IKBKBUSP28USP25
SCHEMBL20722660 0.78 LIMK1 (0.51) ADORA2ALIMK1IKBKBRAB9ANPC1
SCHEMBL29707312 0.78 LIMK1 (0.77) ADORA2ALIMK1IKBKBUSP28USP25
SCHEMBL25808577 0.76 LIMK1 (0.52) ADORA2ALIMK1IKBKBUSP28USP25
SCHEMBL20722419 0.75 LIMK1 (0.51) ADORA2ALIMK1IKBKBUSP28USP25

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913753-B2 Thienopyridine carboxamides as ubiquitin-specific protease inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-02-09 US 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-10913753-B2 Thienopyridine carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 ADORA2A 4060/4885LIMK1 4691/4885IKBKB 410/4885

“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.