SCHEMBL16727006

SCHEMBL16727006

CS(=O)(=O)OCc1ccc2scc(Br)c2c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.39
CA2 P00918 6/20 0.38
FFAR1 O14842 7/20 0.35
MTNR1A P48039 3/20 0.33
CA9 Q16790 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CA1 P00915 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
SCHEMBL3186496 0.73 CA2 (0.40) CA2CA9MAPTCA1
SCHEMBL4057654 0.73 CYP2A6 (0.51) CYP2A6CA2
SCHEMBL17669566 0.72 CYP2A6 (0.41) CYP2A6CA2MTNR1ATP53MAPT
SCHEMBL1368760 0.72 PTPRB (0.37) CA2FFAR1CA9CA1
SCHEMBL605119 0.72 CYP1A2 (0.39) CA2CA9CA1
SCHEMBL2033908 0.72 IDO1 (0.37) CA2CA9MAPTCA1
SCHEMBL2523918 0.72 MAOB (0.41) CA2CA9MAPTCA1
SCHEMBL4952656 0.71 CA2 (0.58) CA2CA9CA1
SCHEMBL17669482 0.71 CYP2A6 (0.40) CYP2A6CA2MTNR1A
SCHEMBL17669439 0.71 CYP2A6 (0.41) CYP2A6CA2MTNR1AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2850083-B1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE JANSSEN PHARMACEUTICALS INC (US) 2016-04-27 EP disclosed
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 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-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 CYP2A6 390/4885CA2 3006/4885FFAR1 2448/4885

“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.