SCHEMBL20945221

SCHEMBL20945221

C=Cc1ccc2c(=O)[nH]n(-c3ccc(C(C)(C)C)cc3)c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MPL P40238 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
PLEC Q15149 1/20 0.36
TRPV1 Q8NER1 4/20 0.35
CYP1A2 P05177 1/20 0.34
PMM2 O15305 1/20 0.34
MPI P34949 1/20 0.34
PHOSPHO1 Q8TCT1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
TYMS P04818 1/20 0.32
DAO P14920 1/20 0.32
LMNA P02545 1/20 0.31

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 0.80 TSHR (0.43) TSHRMPLMEN1KMT2APOLB
SCHEMBL20945017 0.78 TSHR (0.41) TSHRMPLMEN1KMT2APOLB
SCHEMBL4064440 0.76 MEN1 (0.60) TSHRMPLMEN1KMT2APOLB
SCHEMBL4055408 0.71 MEN1 (0.60) TSHRMPLMEN1KMT2APOLB
SCHEMBL6376871 0.71 KMT2A (0.56) MPLMEN1KMT2APOLBMAPT
SCHEMBL6376867 0.71 KMT2A (0.56) MPLMEN1KMT2APOLBMAPT
SCHEMBL15198 0.66 ALDH1A1 (0.58) TSHRMEN1KMT2ATRPV1CYP1A2
SCHEMBL15075629 0.65 PPARG (0.42) POLBPMM2MPIPHOSPHO1ALDH1A1
SCHEMBL15075631 0.65 PPARG (0.42) POLBPMM2MPIPHOSPHO1ALDH1A1
Hydrogen Sulfide SCHEMBL29029008 0.65 ALDH1A1 (0.55) TSHRMEN1KMT2ATRPV1CYP1A2

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 2384/4885MEN1 3731/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP TSHR 3699/4885MPL 2384/4885MEN1 3731/4885

“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.