SCHEMBL20945135

SCHEMBL20945135

Nc1cccn(CCCN2CCOCC2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
CNR2 P34972 3/20 0.46
CNR1 P21554 1/20 0.46
KDM1A O60341 3/20 0.45
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR6 P50406 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41

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
SCHEMBL6310595 0.93 CNR2 (0.51) KMT2ACNR2CNR1KDM1AHSD17B10
SCHEMBL20945300 0.84 KDM1A (0.43) KDM1AHSD17B10KDM4EALDH1A1HPGD
SCHEMBL6302641 0.80 CNR2 (0.41) KMT2ACNR2CNR1KDM4EALDH1A1
SCHEMBL28224164 0.78 BRD4 (0.48) KMT2ACNR2CNR1KDM4ESMN1; SMN2
SCHEMBL12480562 0.78 CNR2 (0.46) CNR2CNR1KDM1AHSD17B10KDM4E
SCHEMBL23531472 0.77 USP2 (0.53) KDM1AHSD17B10KDM4ESMN1; SMN2ALDH1A1
SCHEMBL21948566 0.76 KDM1A (0.49) CNR2KDM1AHSD17B10KDM4ESMN1; SMN2
SCHEMBL12263334 0.74 USP2 (0.47) KMT2ACNR2CNR1HSD17B10KDM4E
SCHEMBL20945145 0.73 PARP1 (0.44) CNR2CNR1KDM1AHSD17B10KDM4E
SCHEMBL6310590 0.73 CNR2 (0.62) KMT2ACNR2CNR1KDM4ESMN1; SMN2

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 KMT2A 2799/4885CNR2 4304/4885CNR1 4021/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP KMT2A 2799/4885CNR2 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.