SCHEMBL20945113

SCHEMBL20945113

O=c1[nH]nc(OS(=O)(=O)C(F)(F)F)c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
AR P10275 1/20 0.43
TTK P33981 1/20 0.43
MAOB P27338 7/20 0.43
MAOA P21397 6/20 0.43
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
PARP15 Q460N3 2/20 0.41
PARP10 Q53GL7 2/20 0.41
ROCK1 Q13464 1/20 0.41
PARP1 P09874 1/20 0.40

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
SCHEMBL25547522 0.82 ENPP1 (0.43) TNKS2PARP2PARP15PARP10ROCK1
SCHEMBL20945106 0.80 ATM (0.46) ARPARP1
SCHEMBL31384311 0.80 ATM (0.46) ARPARP1
SCHEMBL20945077 0.78 ADORA3 (0.39) ARMAOBPARP1
SCHEMBL31384290 0.77 ENPP1 (0.46) TNKS2PARP2TTKPARP15PARP10
SCHEMBL25547517 0.77 ENPP1 (0.46) TNKS2PARP2TTKPARP15PARP10
SCHEMBL20944947 0.77 PRMT5 (0.40) ROCK1
SCHEMBL25546301 0.77 ELANE (0.35) PARP1
SCHEMBL20945201 0.74 ABCB1 (0.42) IP6K1ARMAOBCTSVCTSL
SCHEMBL23526181 0.74 IP6K1 (0.54) IP6K1TNKS2PARP2MAOBMAOA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415345-B Pyridazinone-based broad-spectrum anti-influenza inhibitors 豪夫迈·罗氏有限公司 2022-01-11 CN 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-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 IP6K1 711/4885TNKS2 1234/4885PARP2 2896/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP IP6K1 711/4885TNKS2 1234/4885PARP2 2896/4885

“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.