SCHEMBL19812349

SCHEMBL19812349

Nc1csc2c1ccc1nccn12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.33
CDK8 P49336 2/20 0.33
ROCK1 Q13464 2/20 0.33
CHEK1 O14757 1/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
PRKACA P17612 1/20 0.33
KDR P35968 1/20 0.33
MAP2K1 Q02750 1/20 0.33
ACVR1 Q04771 1/20 0.33
MAP4K2 Q12851 1/20 0.33
AURKB Q96GD4 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
PKM P14618 2/20 0.31
IDO1 P14902 1/20 0.30
FLT1 P17948 1/20 0.30
CDK9 P50750 1/20 0.30
LIMK1 P53667 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
KEAP1 Q14145 1/20 0.30

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
SCHEMBL19812341 0.77 SMN1; SMN2 (0.31)
SCHEMBL19812345 0.70 EGLN2 (0.39) DYRK1A
SCHEMBL3187668 0.66 CDK8 (0.41) DYRK1ACDK8ROCK1CHEK1MAP4K4
SCHEMBL29644499 0.64 PI4KA (0.39) DYRK1ACDK8ROCK1CHEK1MAP4K4
SCHEMBL23346746 0.63
SCHEMBL400723 0.62 CLK4 (0.44) DYRK1ACDK8ROCK1CHEK1MAP4K4
SCHEMBL27374115 0.62 DYRK1A (0.38) DYRK1ACDK8ROCK1CHEK1MAP4K4
SCHEMBL29644503 0.61 LIMK1 (0.35) DYRK1ACDK8ROCK1CHEK1MAP4K4
SCHEMBL334306 0.61 CDK8 (0.53) DYRK1ACDK8ROCK1CHEK1MAP4K4
Hydrochloric Acid SCHEMBL5442637 0.60 CDK8 (0.52) DYRK1ACDK8ROCK1CHEK1MAP4K4

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-10342782-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2019-07-09 US disclosed
US-10342782-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2019-07-09 US disclosed
US-20180028501-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2018-02-01 US disclosed
US-20180028501-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2018-02-01 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 (2 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-10342782-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM2, CHRM1 DYRK1A 598/4885CDK8 1421/4885ROCK1 1896/4885
US-20180028501-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM2, CHRM1 DYRK1A 598/4885CDK8 1421/4885ROCK1 1896/4885

“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.