SCHEMBL20945008

SCHEMBL20945008

Nc1cccn(CCN2CC(O)(C(F)(F)F)C2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CFTR P13569 1/20 0.32
ADORA2A P29274 1/20 0.32
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
GRIN2B Q13224 1/20 0.31
ATM Q13315 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
MCHR1 Q99705 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
SCHEMBL20945168 0.76 PARP1 (0.40) ELANEPARP1ALDH1A1CNR2CNR1
SCHEMBL6302641 0.74 CNR2 (0.41) ELANEPARP1KDM4EALDH1A1CNR2
SCHEMBL20945172 0.72 OPRK1 (0.41) PARP1CNR2CNR1
SCHEMBL6310595 0.72 CNR2 (0.51) KDM4ESMN1; SMN2ALDH1A1CNR2CNR1
SCHEMBL20697298 0.70 PARP1 (0.46) ELANEPARP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL13075504 0.69 ELANE (0.46) ELANEPARP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL20945145 0.67 PARP1 (0.44) ELANEPARP1KDM4EALDH1A1ADORA2A
SCHEMBL25433288 0.66 ELANE (0.43) ELANEPARP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL13923526 0.66 ELANE (0.46) ELANEPARP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL20945135 0.66 KMT2A (0.47) PARP1KDM4ESMN1; SMN2ALDH1A1CNR2

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 ELANE 2561/4885PARP1 2322/4885KDM4E 1753/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP ELANE 2561/4885PARP1 2322/4885KDM4E 1753/4885

“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.