SCHEMBL3025573

SCHEMBL3025573

Nc1nc2c(s1)CC(NC(=O)O)CC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 6/20 0.62
SCN3A Q9NY46 5/20 0.62
SCN9A Q15858 5/20 0.61
SCN5A Q14524 1/20 0.59
DRD3 P35462 4/20 0.57
DRD2 P14416 3/20 0.57
HRH2 P25021 2/20 0.57
ADRA2A P08913 2/20 0.57
DRD4 P21917 2/20 0.57
ADRB2 P07550 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
HTR1B P28222 1/20 0.57
HTR2A P28223 1/20 0.57
HTR7 P34969 1/20 0.57
ADRA1A P35348 1/20 0.57
HRH1 P35367 1/20 0.57
HTR2B P41595 1/20 0.57
SIGMAR1 Q99720 1/20 0.57

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
SCHEMBL5810188 0.87 SCN4A (0.61) SCN4ASCN3ASCN9ASCN5ADRD3
SCHEMBL3435133 0.87 SCN4A (0.61) SCN4ASCN3ASCN9ASCN5ADRD3
SCHEMBL5810193 0.87 SCN4A (0.61) SCN4ASCN3ASCN9ASCN5ADRD3
SCHEMBL14399414 0.87 DRD3 (0.58) SCN4ASCN3ASCN9ASCN5ADRD3
Bromide SCHEMBL4631988 0.86 SCN4A (0.60) SCN4ASCN3ASCN9ASCN5ADRD3
Bromide SCHEMBL1234856 0.86 SCN4A (0.60) SCN4ASCN3ASCN9ASCN5ADRD3
SCHEMBL31214169 0.86 SCN4A (0.67) SCN4ASCN3ASCN9ASCN5ADRD3
SCHEMBL17156950 0.84 SCN3A (0.48) SCN4ASCN3ASCN9ASCN5A
SCHEMBL10053499 0.83 SCN4A (0.58) SCN4ASCN3ASCN9ASCN5ADRD3
SCHEMBL10053497 0.83 SCN4A (0.58) SCN4ASCN3ASCN9ASCN5ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-14 US disclosed
EP-4263547-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-10-25 EP disclosed
US-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS SYNGENE INTERNATIONAL LIMITED (IN) 2023-04-20 US disclosed
WO-2022128853-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-06-23 WO disclosed
WO-2021087181-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-06 WO disclosed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
US-20070105908-A1 Thiazolimine compound and oxazolimine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-10 US disclosed
EP-1640369-A1 THIAZOLIMINE COMPOUND AND OXAZOLIMINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-03-29 EP 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 (4 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH SCN4A 3401/4885SCN3A 3139/4885SCN9A 2168/4885
US-20070105908-A1 Thiazolimine compound and oxazolimine compound CMA1, TH, NPR3 SCN4A 3147/4885SCN3A 874/4885SCN9A 2207/4885
US-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA SCN4A 3282/4885SCN3A 3364/4885SCN9A 3293/4885
US-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS TLR1, TLR3, TLR9 SCN4A 2657/4885SCN3A 2184/4885SCN9A 1860/4885

“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.