SCHEMBL20945157

SCHEMBL20945157

Nc1cccn(CCNC(=O)O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
ELANE P08246 1/20 0.41
BRD4 O60885 2/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
CRHR2 Q13324 1/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 2/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL21383985 0.83 PKM (0.40) BRD4ALDH1A1KDM4EBRD2BRD3
SCHEMBL20945124 0.79 DRD2 (0.44) ELANE
SCHEMBL20945317 0.77 RAD52 (0.48) ELANEALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL6304723 0.76 ELANE (0.40) PARP1ELANEBRD4ALDH1A1KDM4E
SCHEMBL15675117 0.76 PSMB1 (0.57) ALDH1A1LMNAPOLBSMN1; SMN2MEN1
SCHEMBL6305640 0.75 ELANE (0.39) PARP1ELANEBRD4ALDH1A1KDM4E
SCHEMBL6302528 0.75 ELANE (0.41) PARP1ELANEBRD4ALDH1A1KDM4E
SCHEMBL197253 0.75 ELANE (0.49) PARP1ELANEBRD4ALDH1A1KDM4E
SCHEMBL20945137 0.74 PARP1 (0.49) PARP1ELANEALDH1A1KDM4ESMN1; SMN2
SCHEMBL15803825 0.74 HTT (0.51) PARP1ELANEBRD4ALDH1A1POLB

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 3 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
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 PARP1 2322/4885ELANE 2561/4885BRD4 590/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP PARP1 2322/4885ELANE 2561/4885BRD4 590/4885

“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.