SCHEMBL21695757

SCHEMBL21695757

CSc1cccc2c1nc(C1CCOCC1)n2C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
PDE10A Q9Y233 7/20 0.40
TLR7 Q9NYK1 1/20 0.38
PDE1B Q01064 1/20 0.36
BRD4 O60885 7/20 0.35
CREBBP Q92793 7/20 0.35
SCN9A Q15858 1/20 0.34
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL21348799 0.82 PDE10A (0.48) PARP1PDE10ATLR7PDE1BSCN9A
SCHEMBL21348794 0.79 PARP1 (0.41) PARP1PDE10ATLR7PDE1BBRD4
SCHEMBL11923730 0.71 PDE10A (0.53) PARP1PDE10ATLR7BRD4
SCHEMBL11923724 0.70 PARP1 (0.46) PARP1PDE10ATLR7
SCHEMBL30665864 0.69 PDE10A (0.37) PARP1PDE10ATLR7PDE1BBRD4
SCHEMBL26654603 0.69 PDE10A (0.37) PARP1PDE10ATLR7PDE1BBRD4
SCHEMBL6756278 0.68 TLR7 (0.54) PARP1PDE10ATLR7
SCHEMBL17712727 0.66 MEN1 (0.64) DRD2KCNH2
SCHEMBL30899879 0.66 ACACB (0.39) PDE10ATLR7PDE1BBRD4
SCHEMBL30899880 0.66 ACACB (0.39) PDE10ATLR7PDE1BBRD4

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-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2020-02-11 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-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, TNK2 PARP1 3772/4885PDE10A 165/4885TLR7 2771/4885

“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.