SCHEMBL6504982

SCHEMBL6504982

COc1ccc(-c2cc(CBr)c(=O)n(CC3CC3)n2)cc1F.COc1ccc(-c2cc(CO)c(=O)n(CC3CC3)n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
PTGIR P43119 2/20 0.41
PTGDR Q13258 1/20 0.41
ROCK2 O75116 2/20 0.38
PDE4B Q07343 4/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
MAP3K11 Q16584 1/20 0.36
SYK P43405 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MTOR P42345 2/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1927905 0.95 GRIN1 (0.46) GRIN1GRIN2BPTGIRPTGDRROCK2
SCHEMBL1925260 0.95 GRIN1 (0.46) GRIN1GRIN2BPTGIRPTGDRPDE4B
SCHEMBL1925391 0.91 GRIN1 (0.43) GRIN1GRIN2BPTGIRPTGDRROCK2
SCHEMBL1925124 0.86 GRIN1 (0.44) GRIN1GRIN2BPTGIRPTGDRROCK2
SCHEMBL6504986 0.86 PTGIR (0.38) GRIN1GRIN2BPTGIRPTGDRROCK2
SCHEMBL1925070 0.85 GRIN1 (0.46) GRIN1GRIN2BPTGIRPTGDRPDE4B
SCHEMBL1924763 0.85 GRIN1 (0.42) GRIN1GRIN2BPTGIRPTGDRROCK2
Hydrochloric Acid SCHEMBL1925303 0.84 GRIN1 (0.41) GRIN1GRIN2BPTGIRPTGDRROCK2
Hydrochloric Acid SCHEMBL1927908 0.84 GRIN1 (0.46) GRIN1GRIN2BPTGIRPTGDRPDE4B
SCHEMBL1925192 0.83 GRIN1 (0.47) GRIN1GRIN2BPTGIRPTGDRPDE4B

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-6869954-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-22 US disclosed
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2003-06-26 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 (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-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 GRIN1 519/4885GRIN2B 2978/4885PTGIR 597/4885

“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.