SCHEMBL20945115

SCHEMBL20945115

O=c1c2ccncc2c(Br)nn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.40
MCHR1 Q99705 2/20 0.40
PFKFB3 Q16875 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAT2A P31153 1/20 0.37
ABCB1 P08183 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
TDO2 P48775 1/20 0.37
AHR P35869 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TRPV1 Q8NER1 2/20 0.35

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
SCHEMBL20945074 0.95 NPBWR1 (0.40) NPBWR1MCHR1PFKFB3ALDH1A1MAT2A
SCHEMBL4067124 0.85 RAB9A (0.48) NPBWR1MCHR1PFKFB3ALDH1A1ABCB1
SCHEMBL20945065 0.78 ABCB1 (0.41) NPBWR1MCHR1PFKFB3ALDH1A1ABCB1
SCHEMBL20945002 0.77 ABCB1 (0.37) NPBWR1MCHR1PFKFB3ALDH1A1ABCB1
SCHEMBL20944944 0.75 TP53 (0.40) NPBWR1MCHR1PFKFB3ALDH1A1ABCB1
SCHEMBL20945183 0.74 TRPV4 (0.36) NPBWR1MCHR1PFKFB3ALDH1A1ABCB1
SCHEMBL20944919 0.72 ABCB1 (0.41) NPBWR1MCHR1PFKFB3ALDH1A1ABCB1
SCHEMBL20945125 0.70 PFKFB3 (0.39) NPBWR1MCHR1PFKFB3ALDH1A1ABCB1
SCHEMBL20945242 0.69 HTR2C (0.45) NPBWR1MCHR1PFKFB3ALDH1A1ABCB1
SCHEMBL4056180 0.68 RAB9A (0.53) ALDH1A1ABCB1L3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPBWR1 4663/4885MCHR1 4847/4885PFKFB3 412/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP NPBWR1 4663/4885MCHR1 4847/4885PFKFB3 412/4885

“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.