SCHEMBL20945002

SCHEMBL20945002

C=Cc1ccc2c(=O)n(-c3ccc(OC(F)(F)F)cc3)nc(Br)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.37
TRPV4 Q9HBA0 2/20 0.36
NPBWR1 P48145 2/20 0.35
MCHR1 Q99705 2/20 0.35
PFKFB3 Q16875 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
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
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

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
SCHEMBL20945183 0.96 TRPV4 (0.36) ABCB1TRPV4NPBWR1MCHR1PFKFB3
SCHEMBL20945108 0.87 ABCB1 (0.39) ABCB1TRPV4NPBWR1MCHR1ALDH1A1
SCHEMBL20945073 0.84 TRPV4 (0.38) ABCB1TRPV4NPBWR1MCHR1ALDH1A1
SCHEMBL20945065 0.81 ABCB1 (0.41) ABCB1TRPV4NPBWR1MCHR1PFKFB3
SCHEMBL4067124 0.81 RAB9A (0.48) ABCB1NPBWR1MCHR1PFKFB3ALDH1A1
SCHEMBL20944923 0.77 AURKA (0.37) ABCB1TRPV4KDM4EMAPT
SCHEMBL20945115 0.77 NPBWR1 (0.40) ABCB1NPBWR1MCHR1PFKFB3ALDH1A1
SCHEMBL20944944 0.76 TP53 (0.40) ABCB1TRPV4NPBWR1MCHR1PFKFB3
SCHEMBL20945074 0.74 NPBWR1 (0.40) ABCB1NPBWR1MCHR1PFKFB3ALDH1A1
SCHEMBL20944919 0.74 ABCB1 (0.41) ABCB1TRPV4NPBWR1MCHR1PFKFB3

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 7 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-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
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 ABCB1 177/4885TRPV4 3565/4885NPBWR1 4663/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP ABCB1 177/4885TRPV4 3565/4885NPBWR1 4663/4885

“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.