SCHEMBL20945309

SCHEMBL20945309

O=c1[nH]n(-c2ccc(OC(F)(F)F)cc2)c(=O)c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.47
NOX4 Q9NPH5 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
IP6K1 Q92551 1/20 0.44
MCHR1 Q99705 1/20 0.44
TSHR P16473 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
MAOB P27338 2/20 0.42
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL20945306 0.96 AR (0.47) ARNOX4TNKS2PARP2MRGPRX4
SCHEMBL20945293 0.81 TSHR (0.61) TSHRGABRA1GABRG2GABRB3GABRA3
SCHEMBL20945311 0.77 GABRA1 (0.43) MRGPRX4TSHRGABRA1GABRG2GABRB3
SCHEMBL20945038 0.74 ABCB1 (0.40) ARMRGPRX4IP6K1MCHR1MAOB
SCHEMBL20945304 0.73 ALDH1A1 (0.46) GABRA1GABRG2GABRB3GABRA3
SCHEMBL5784957 0.72 MRGPRX4 (0.63) MRGPRX4MAOBPARP10MAOA
SCHEMBL20945201 0.72 ABCB1 (0.42) ARMRGPRX4IP6K1MCHR1MAOB
SCHEMBL7254415 0.71 KIF11 (0.67) ARMRGPRX4GABRA1GABRG2GABRB3
SCHEMBL20945265 0.69 GABRA1 (0.44) TSHRGABRA1GABRG2GABRB3GABRA3
SCHEMBL13802518 0.69 SRD5A2 (0.60) MRGPRX4TSHR

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 AR 4854/4885NOX4 3126/4885TNKS2 1234/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP AR 4854/4885NOX4 3126/4885TNKS2 1234/4885

“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.