SCHEMBL20945324

SCHEMBL20945324

CN(C)CCn1cccc(N)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.44
HTR2A P28223 4/20 0.44
PARP1 P09874 1/20 0.40
ELANE P08246 1/20 0.39
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
HTR6 P50406 3/20 0.37
CYP2D6 P10635 1/20 0.37
FTO Q9C0B1 1/20 0.37
KDM1A O60341 1/20 0.37
HTR1D P28221 1/20 0.36
MPO P05164 1/20 0.36
HAVCR2 Q8TDQ0 1/20 0.36
KAT2B Q92831 1/20 0.36
DRD2 P14416 2/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 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
SCHEMBL6302794 0.83 POLB (0.39) PARP1ELANEMPOKAT2BDRD2
SCHEMBL3747700 0.83 PARP1 (0.62) HTR2CHTR2APARP1HTR6MPO
SCHEMBL12264183 0.81 HTR2C (0.45) HTR2CHTR2AHEXAHEXBHTR6
SCHEMBL12263459 0.79 HTR2C (0.44) HTR2CHTR2AHEXAHEXBHTR6
SCHEMBL6304262 0.78 SLC6A4 (0.40) PARP1ELANESLC6A2SLC6A4HRH1
SCHEMBL20945122 0.77 ELANE (0.39) PARP1ELANEKDM4EALDH1A1GAA
SCHEMBL20697298 0.77 PARP1 (0.46) PARP1ELANEMAPTKDM4EALDH1A1
SCHEMBL15803908 0.76 PARP1 (0.40) PARP1ELANEMAPTKDM4EALDH1A1
SCHEMBL15803821 0.76 PARP1 (0.40) PARP1ELANEMAPTKDM4EALDH1A1
SCHEMBL13075101 0.76 ALDH1A1 (0.41) PARP1ELANELMNAALDH1A1

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 HTR2C 1443/4885HTR2A 1903/4885PARP1 2322/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP HTR2C 1443/4885HTR2A 1903/4885PARP1 2322/4885

“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.