Sugi Predict

Sugi Predict / Compounds / SCHEMBL20945183

SCHEMBL20945183

SCHEMBL20945183

C=Cc1ccc2c(Br)nn(-c3ccc(OC(F)(F)F)cc3)c(=O)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 3/20 0.36
▸ NPBWR1 P48145 2/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ PFKFB3 Q16875 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL20945002 0.96 ABCB1 (0.37) TRPV4NPBWR1MCHR1PFKFB3ABCB1
SCHEMBL20945073 0.87 TRPV4 (0.38) TRPV4NPBWR1MCHR1ABCB1ALDH1A1
SCHEMBL20945108 0.84 ABCB1 (0.39) TRPV4NPBWR1MCHR1ABCB1ALDH1A1
SCHEMBL20944944 0.81 TP53 (0.40) TRPV4NPBWR1MCHR1PFKFB3ABCB1
SCHEMBL4067124 0.81 RAB9A (0.48) NPBWR1MCHR1PFKFB3ABCB1ALDH1A1
SCHEMBL20944922 0.77 AURKA (0.37) TRPV4ABCB1KDM4E
SCHEMBL20945074 0.77 NPBWR1 (0.40) NPBWR1MCHR1PFKFB3ABCB1ALDH1A1
SCHEMBL20945065 0.76 ABCB1 (0.41) TRPV4NPBWR1MCHR1PFKFB3ABCB1
SCHEMBL20945115 0.74 NPBWR1 (0.40) NPBWR1MCHR1PFKFB3ABCB1ALDH1A1
SCHEMBL20945125 0.74 PFKFB3 (0.39) TRPV4NPBWR1MCHR1PFKFB3ABCB1

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 5 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
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 TRPV4 3565/4885NPBWR1 4663/4885MCHR1 4847/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP TRPV4 3565/4885NPBWR1 4663/4885MCHR1 4847/4885

“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.