SCHEMBL5865422

SCHEMBL5865422

Nc1ccnc(C2=Cc3ccsc3CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.39
HSP90AA1 P07900 1/20 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
Fumaric Acid SCHEMBL5865403 0.89 ASIC3 (0.35) ASIC3
Fumaric Acid SCHEMBL5865404 0.89 ASIC3 (0.35) ASIC3
SCHEMBL5865149 0.76 GRIN2D (0.33)
SCHEMBL5865110 0.75 ASIC3 (0.47) ASIC3
Hydrochloric Acid SCHEMBL5865331 0.73 ASIC3 (0.46) ASIC3
SCHEMBL5865035 0.71 ASIC3 (0.37) ASIC3
SCHEMBL5865078 0.70 ASIC3 (0.36) ASIC3
SCHEMBL5864840 0.69 ASIC3 (0.38) ASIC3
SCHEMBL5865162 0.69 CYP11B2 (0.54) ASIC3
SCHEMBL28996170 0.67 HSP90AA1 (0.58) ASIC3HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034044-B2 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. (US) 2006-04-25 US claimed
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER 2006-03-16 US claimed
CN-1578662-A Pyridine derivatives as nmda-receptor subtype blockers HOFFMANN LA ROCHE (CH) 2005-02-09 CN claimed
EP-1443926-A1 PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-11 EP claimed
US-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER (FR) 2004-04-08 US claimed
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. 2003-07-31 US claimed
WO-2003037333-A1 PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-08 WO claimed
CN-1837195-A Pyridine derivatives as nmda-receptor subtype blockers HOFFMANN LA ROCHE (CH) 2006-09-27 CN disclosed
US-7034044-B2 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. (US) 2006-04-25 US disclosed
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER 2006-03-16 US disclosed
US-6951875-B2 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. (US) 2005-10-04 US disclosed
CN-1578662-A Pyridine derivatives as nmda-receptor subtype blockers HOFFMANN LA ROCHE (CH) 2005-02-09 CN disclosed
EP-1443926-A1 PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-11 EP disclosed
US-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER (FR) 2004-04-08 US disclosed
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. 2003-07-31 US disclosed
WO-2003037333-A1 PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-08 WO 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-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C ASIC3 463/4885HSP90AA1 4100/4885
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C ASIC3 463/4885HSP90AA1 4100/4885
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN3A, GRIN2C ASIC3 502/4885HSP90AA1 4390/4885

“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.