SCHEMBL20945266

SCHEMBL20945266

COC1CCN(CCn2cccc(N)c2=O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
CNR2 P34972 2/20 0.35
LTA4H P09960 1/20 0.35
CNR1 P21554 1/20 0.35
PLD1 Q13393 1/20 0.34
HTR4 Q13639 1/20 0.33
GRM2 Q14416 1/20 0.33
BACE1 P56817 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
CDC7 O00311 1/20 0.32
PIM1 P11309 1/20 0.32
CSNK2B P67870 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
SCHEMBL20944986 0.81 LTA4H (0.48) CNR2LTA4HCNR1
SCHEMBL20945172 0.81 OPRK1 (0.41) CNR2LTA4HCNR1OPRM1OPRK1
SCHEMBL6302641 0.75 CNR2 (0.41) CNR2LTA4HCNR1PARP1
SCHEMBL20945168 0.74 PARP1 (0.40) GRIN1GRIN2BCNR2CNR1GRM2
SCHEMBL6310595 0.73 CNR2 (0.51) CNR2CNR1
SCHEMBL20689240 0.72 TYK2 (0.38) CNR2CNR1TYK2PARP1
SCHEMBL13075101 0.70 ALDH1A1 (0.41) PARP1
SCHEMBL12263301 0.69 LMNA (0.42) CNR2CNR1CHRM3OPRM1OPRK1
SCHEMBL20689514 0.69 PIK3CA (0.38) BACE1TYK2
SCHEMBL20689218 0.69 PIK3CA (0.38) BACE1TYK2

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 6 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
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 KCNH2 1472/4885MCHR1 4847/4885GRIN1 3343/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP KCNH2 1472/4885MCHR1 4847/4885GRIN1 3343/4885

“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.