SCHEMBL2893808

SCHEMBL2893808

COCOCC1=CCC2CC1C2(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ TDP1 Q9NUW8 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ CXCR3 P49682 12/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL15442583 0.89 KCNH2 (0.55) KCNH2MAPK1TDP1KDM4ETSHR
SCHEMBL15445234 0.84 KCNH2 (0.55) KCNH2MAPK1TDP1KDM4ETSHR
SCHEMBL15798293 0.80 KCNH2 (0.51) KCNH2MAPK1TDP1KDM4ETSHR
SCHEMBL15451207 0.79 SCN9A (0.47) KCNH2MAPK1TDP1KDM4ETSHR
SCHEMBL15445242 0.78 CXCR3 (0.61) KCNH2TDP1KDM4ECXCR3MEN1
SCHEMBL12219320 0.78 KCNH2 (0.62) KCNH2MAPK1TDP1KDM4ETSHR
SCHEMBL14857463 0.78 KCNH2 (0.62) KCNH2MAPK1TDP1KDM4ETSHR
SCHEMBL24133211 0.75 MAPK1 (0.48) KCNH2MAPK1TDP1KDM4ETSHR
SCHEMBL9984711 0.75 TDP1 (0.50) KCNH2MAPK1TDP1KDM4ETSHR
SCHEMBL9984718 0.75 TDP1 (0.50) KCNH2MAPK1TDP1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 — — US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 — — US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 — — US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 — — US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 — — US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 — — US disclosed
WO-2009057827-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-07 — — WO 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 (1 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-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 KCNH2 387/4885MAPK1 161/4885TDP1 2130/4885

“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.

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