SCHEMBL6310595

SCHEMBL6310595

Nc1cccn(CCN2CCOCC2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.51
CNR1 P21554 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
KDM1A O60341 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GAA P10253 2/20 0.40
ATM Q13315 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL20945135 0.93 KMT2A (0.47) CNR2CNR1ALDH1A1HSD17B10KDM4E
SCHEMBL6302641 0.87 CNR2 (0.41) CNR2CNR1ALDH1A1KDM4EKMT2A
SCHEMBL28224164 0.82 BRD4 (0.48) CNR2CNR1ALDH1A1KDM4EKMT2A
SCHEMBL6310590 0.80 CNR2 (0.62) CNR2CNR1ALDH1A1KDM4EKMT2A
SCHEMBL20945168 0.77 PARP1 (0.40) CNR2CNR1L3MBTL1ALDH1A1
SCHEMBL16553513 0.77 PLD1 (0.49) CNR2CNR1L3MBTL1ALDH1A1KMT2A
SCHEMBL12264174 0.77 CNR2 (0.50) CNR2CNR1ALDH1A1HSD17B10KDM4E
SCHEMBL20945300 0.76 KDM1A (0.43) ALDH1A1HSD17B10KDM4EMAPTKDM1A
SCHEMBL20945172 0.76 OPRK1 (0.41) CNR2CNR1
SCHEMBL20697056 0.76 L3MBTL3 (0.45) ALDH1A1KMT2APOLBSIGMAR1TSHR

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 8 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
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 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 CNR2 4304/4885CNR1 4021/4885L3MBTL1 4826/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP CNR2 4304/4885CNR1 4021/4885L3MBTL1 4826/4885

“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.