SCHEMBL20945017

SCHEMBL20945017

CCc1ccc2c(=O)[nH]n(-c3ccc(C(C)(C)C)cc3)c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
MPL P40238 4/20 0.39
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PLEC Q15149 1/20 0.37
DAO P14920 1/20 0.37
PGR P06401 2/20 0.37
RORA P35398 2/20 0.37
RORC P51449 2/20 0.37
RORB Q92753 2/20 0.37
TRPV1 Q8NER1 1/20 0.35
METAP2 P50579 1/20 0.35
PMM2 O15305 1/20 0.35
MPI P34949 1/20 0.35
PHOSPHO1 Q8TCT1 1/20 0.35
MT-CO1 P00395 1/20 0.34
MT-CO2 P00403 1/20 0.34
ALKBH3 Q96Q83 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL20944920 0.81 TSHR (0.43) TSHRMPLPOLBMEN1KMT2A
SCHEMBL20945221 0.78 TSHR (0.40) TSHRMPLPOLBMEN1KMT2A
SCHEMBL4064440 0.77 MEN1 (0.60) TSHRMPLPOLBMEN1KMT2A
SCHEMBL28675740 0.76 TSHR (0.67) TSHRPOLBMEN1KMT2APLEC
SCHEMBL4055408 0.72 MEN1 (0.60) TSHRMPLPOLBMEN1KMT2A
SCHEMBL25752401 0.69 MAPK8 (0.38) POLBDAOPGRRORARORC
SCHEMBL28276031 0.69 SMN1; SMN2 (0.45) POLBMEN1KMT2AMETAP2TP53
SCHEMBL11414014 0.66 KDM4E (0.50) DAO
SCHEMBL338386 0.65 BCHE (0.52) TSHRTP53
SCHEMBL24605119 0.65 PPARG (0.43) POLBMEN1KMT2APGRRORA

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 TSHR 3699/4885MPL 2384/4885POLB 1192/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP TSHR 3699/4885MPL 2384/4885POLB 1192/4885

“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.