SCHEMBL3069502

SCHEMBL3069502

O=C(Cl)c1cn(C2CC2)nc1Cl

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.35
FAAH O00519 1/20 0.34
BTK Q06187 1/20 0.34
JAK2 O60674 4/20 0.32
JAK1 P23458 4/20 0.32
AADAT Q8N5Z0 1/20 0.31
TYK2 P29597 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
ACHE P22303 3/20 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
SCHEMBL27758269 0.86 NOTUM (0.38) LRRK2FAAHBTKJAK2JAK1
SCHEMBL26976576 0.81 MGLL (0.39) LRRK2FAAHBTKJAK2JAK1
SCHEMBL1407132 0.80 LRRK2 (0.38) LRRK2FAAHBTKJAK2JAK1
SCHEMBL1407131 0.80 LRRK2 (0.38) LRRK2FAAHBTKJAK2JAK1
SCHEMBL27758258 0.79 BTK (0.40) LRRK2BTKAADATACHE
SCHEMBL28863344 0.79 BTK (0.43) BTKJAK2JAK1AADATACHE
SCHEMBL28240637 0.78 BTK (0.51) BTKJAK2JAK1AADATTYK2
SCHEMBL26419252 0.74 IRAK4 (0.44) BTKJAK2JAK1TYK2
SCHEMBL1407057 0.73 BAZ2B (0.39) LRRK2JAK1
SCHEMBL1407059 0.73 BAZ2B (0.39) LRRK2JAK1

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-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LRRK2 31/4885FAAH 2797/4885BTK 1981/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LRRK2 31/4885FAAH 2797/4885BTK 1981/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LRRK2 31/4885FAAH 2797/4885BTK 1981/4885

“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.