SCHEMBL21348799

SCHEMBL21348799

Cc1cccc2c1nc(C1CCOCC1)n2C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.48
PARP1 P09874 1/20 0.43
PDE1B Q01064 2/20 0.40
TLR7 Q9NYK1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PDE1A P54750 1/20 0.38
PDE1C Q14123 1/20 0.38
HTR3A P46098 1/20 0.38
SCN9A Q15858 1/20 0.36
PARP14 Q460N5 1/20 0.36

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
SCHEMBL11923730 0.90 PDE10A (0.53) PDE10APARP1TLR7KDM4EHTR3A
SCHEMBL6756278 0.85 TLR7 (0.54) PDE10APARP1TLR7
SCHEMBL21695757 0.82 PARP1 (0.41) PDE10APARP1PDE1BTLR7SCN9A
SCHEMBL21348794 0.82 PARP1 (0.41) PDE10APARP1PDE1BTLR7PDE1A
SCHEMBL7472961 0.76 NPY1R (0.51) PDE10APARP1HTR3A
SCHEMBL7467348 0.73 PARP1 (0.47) PDE10APARP1PARP14
SCHEMBL11923724 0.73 PARP1 (0.46) PDE10APARP1TLR7HTR3A
SCHEMBL7465623 0.72 NPY1R (0.48) PDE10APARP1
SCHEMBL26654603 0.72 PDE10A (0.37) PDE10APARP1PDE1BTLR7PDE1A
SCHEMBL30665864 0.72 PDE10A (0.37) PDE10APARP1PDE1BTLR7PDE1A

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-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
US-20190276447-A1 INDAZOLYL-1,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2019-09-12 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-20190276447-A1 INDAZOLYL-1,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE ROCK1, ROCK2, TNK2 PDE10A 165/4885PARP1 3772/4885PDE1B 285/4885
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 PDE10A 165/4885PARP1 3772/4885PDE1B 285/4885

“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.