SCHEMBL20945265

SCHEMBL20945265

O=c1[nH]n(-c2ccc(OC(F)(F)F)cc2)c(=O)c2c(O)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA3 P34903 2/20 0.44
TSHR P16473 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PLEC Q15149 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SERPINE1 P05121 1/20 0.36

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
SCHEMBL20945090 0.91 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA3TSHR
SCHEMBL20945301 0.83 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3TRPV1
SCHEMBL20945293 0.83 TSHR (0.61) GABRA1GABRG2GABRB3GABRA3TSHR
SCHEMBL20945323 0.77 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3TRPV1
SCHEMBL28342598 0.75 TRPV1 (0.67) GABRA1GABRG2GABRB3GABRA3TSHR
SCHEMBL20945311 0.72 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3TSHR
SCHEMBL20945097 0.69 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3CCNA2
SCHEMBL20945254 0.69 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA3CCNA2
SCHEMBL20944974 0.69 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA3CCNA2
SCHEMBL20945309 0.69 AR (0.47) GABRA1GABRG2GABRB3GABRA3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415345-B Pyridazinone-based broad-spectrum anti-influenza inhibitors 豪夫迈·罗氏有限公司 2022-01-11 CN disclosed
EP-3478671-B1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN LA ROCHE (CH) 2020-05-13 EP disclosed
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-03-24 US disclosed
US-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-05-02 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 (2 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-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS ABCG2, PIR, PRNP GABRA1 1845/4885GABRG2 2456/4885GABRB3 1967/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP GABRA1 1845/4885GABRG2 2456/4885GABRB3 1967/4885

“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.