SCHEMBL6504986

SCHEMBL6504986

COc1ccc(-c2cc(CBr)c(=O)n(CC3CC3)n2)cc1F.COc1ccc(-c2nn(C3CC3)c(=O)c(CO)c2C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.38
PTGDR Q13258 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
EGFR P00533 2/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
SLC34A1 Q06495 1/20 0.32
ROCK2 O75116 1/20 0.32
PIK3CD O00329 4/20 0.32
KDM1A O60341 2/20 0.32
PIK3CA P42336 1/20 0.32
PDE4A P27815 1/20 0.32
MAP3K11 Q16584 1/20 0.32
CREBBP Q92793 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
MTOR P42345 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL6504982 0.86 GRIN1 (0.43) PTGIRPTGDRGRIN1GRIN2BROCK2
SCHEMBL1927906 0.85 GRM5 (0.43) PTGIRPTGDRGRIN1GRIN2BEGFR
SCHEMBL1925260 0.85 GRIN1 (0.46) PTGIRPTGDRGRIN1GRIN2BKDM1A
SCHEMBL1927905 0.81 GRIN1 (0.46) PTGIRPTGDRGRIN1GRIN2BROCK2
SCHEMBL1925391 0.78 GRIN1 (0.43) PTGIRPTGDRGRIN1GRIN2BROCK2
SCHEMBL1925124 0.76 GRIN1 (0.44) PTGIRPTGDRGRIN1GRIN2BROCK2
SCHEMBL1925070 0.76 GRIN1 (0.46) PTGIRPTGDRGRIN1GRIN2BKDM1A
SCHEMBL1924763 0.76 GRIN1 (0.42) PTGIRPTGDRGRIN1GRIN2BROCK2
Hydrochloric Acid SCHEMBL1925303 0.75 GRIN1 (0.41) PTGIRPTGDRGRIN1GRIN2BROCK2
Hydrochloric Acid SCHEMBL1927908 0.75 GRIN1 (0.46) PTGIRPTGDRGRIN1GRIN2BKDM1A

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 PTGIR 597/4885PTGDR 192/4885GRIN1 519/4885

“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.