SCHEMBL26013116

SCHEMBL26013116

NC(=O)c1csc2cc[nH]c(=O)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.37
DYRK1B Q9Y463 3/20 0.36
LIMK1 P53667 2/20 0.36
DYRK1A Q13627 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
CSNK1A1 P48729 2/20 0.36
MAPK8 P45983 1/20 0.36
MAP2K1 Q02750 1/20 0.36
PRKAA1 Q13131 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
JAK2 O60674 1/20 0.34
RPS6KA3 P51812 1/20 0.34
MELK Q14680 1/20 0.34
STK24 Q9Y6E0 1/20 0.34
TYK2 P29597 1/20 0.33
NAPRT Q6XQN6 1/20 0.33

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
SCHEMBL26013119 0.83 CHEK1 (0.35) DYRK1BLIMK1DYRK1ACLK4CSNK1A1
SCHEMBL26013738 0.76 KDM4E (0.48) ALDH1A1MEN1MAPTKMT2ANPC1
SCHEMBL379713 0.73 PARP1 (0.40) ALDH1A1MAPTJAK2RPS6KA3MELK
SCHEMBL1463692 0.72 PDPK1 (0.36) PDPK1JAK2RPS6KA3MELKSTK24
SCHEMBL24302773 0.69 RAB9A (0.49) ALDH1A1CHEK1NPC1RAB9A
SCHEMBL14912198 0.69 MAPT (0.53) ALDH1A1MAPTKMT2AGSK3BNPC1
SCHEMBL34467598 0.68 PDPK1 (0.62) PDPK1DYRK1BCLK4CSNK1A1MAP2K1
SCHEMBL31440618 0.68 BCAT2 (0.39) LIMK1DYRK1ACLK4CSNK1A1PRKAA1
SCHEMBL24120072 0.68 LIMK1 (0.42) LIMK1DYRK1ACLK4CSNK1A1PRKAA1
SCHEMBL8469600 0.67 PDPK1 (0.43) PDPK1DYRK1BCSNK1A1ALDH1A1MAPT

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-20230257395-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-08-17 US disclosed
US-20230257395-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-08-17 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-20230257395-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 PDPK1 999/4885DYRK1B 1855/4885LIMK1 1481/4885

“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.