SCHEMBL20945168

SCHEMBL20945168

Nc1cccn(CCN2CC(O)C2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
CNR2 P34972 5/20 0.37
CNR1 P21554 3/20 0.37
ELANE P08246 1/20 0.36
OPRK1 P41145 3/20 0.32
OPRM1 P35372 1/20 0.32
VEGFA P15692 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALDH1A1 P00352 2/20 0.30
PKM P14618 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL20945172 0.89 OPRK1 (0.41) PARP1CNR2CNR1OPRK1OPRM1
SCHEMBL6302641 0.80 CNR2 (0.41) PARP1CNR2CNR1ELANEALDH1A1
SCHEMBL6310595 0.77 CNR2 (0.51) CNR2CNR1ALDH1A1L3MBTL1
SCHEMBL20945008 0.76 ELANE (0.40) PARP1CNR2CNR1ELANEALDH1A1
SCHEMBL20945266 0.74 KCNH2 (0.37) PARP1CNR2CNR1OPRK1OPRM1
SCHEMBL20944986 0.73 LTA4H (0.48) CNR2CNR1ELANEALDH1A1
SCHEMBL20945145 0.72 PARP1 (0.44) PARP1CNR2CNR1ELANEVEGFA
SCHEMBL20697298 0.72 PARP1 (0.46) PARP1ELANEVEGFAEGLN1ALDH1A1
SCHEMBL15803908 0.71 PARP1 (0.40) PARP1ELANEVEGFAEGLN1ALDH1A1
SCHEMBL20945135 0.71 KMT2A (0.47) PARP1CNR2CNR1ALDH1A1

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 PARP1 2322/4885CNR2 4304/4885CNR1 4021/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP PARP1 2322/4885CNR2 4304/4885CNR1 4021/4885

“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.