SCHEMBL17959939

SCHEMBL17959939

Oc1cc(F)c(OC(F)(F)F)cc1I

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.40
▸ PDE2A O00408 1/20 0.37
▸ APP P05067 2/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31

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
SCHEMBL31346130 0.79 PGK1 (0.39) APP
SCHEMBL26607321 0.79 PGK1 (0.39) APP
SCHEMBL19914418 0.77 PDE2A (0.41) EPHX2PDE2AAPPKCNH2TMEM97
SCHEMBL19411097 0.77 PDE2A (0.37) EPHX2PDE2A
SCHEMBL19899632 0.73 PDE2A (0.41) EPHX2PDE2AAPPKCNH2TMEM97
SCHEMBL18894055 0.71 CA9 (0.36) —
SCHEMBL21066389 0.70 EPHX2 (0.39) EPHX2PDE2A
SCHEMBL319598 0.69 KIF11 (0.41) —
SCHEMBL22206764 0.69 EPHX2 (0.40) EPHX2PDE2AKCNH2
SCHEMBL29453105 0.69 EPHX2 (0.40) EPHX2PDE2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253755-B1 NOVEL CYCLOPROPABENZOFURANYL PYRIDOPYRAZINEDIONES PFIZER (US) 2020-08-26 — — EP disclosed
EP-3253755-B1 NOVEL CYCLOPROPABENZOFURANYL PYRIDOPYRAZINEDIONES PFIZER (US) 2020-08-26 — — EP disclosed
CN-107406445-B Cyclopropylbenzofuranyl pyridopyrazine diones 辉瑞公司 2019-12-24 — — CN disclosed
US-9765073-B2 Cyclopropabenzofuranyl pyridopyrazinediones PFIZER INC. (US) 2017-09-19 — — US disclosed
US-9765073-B2 Cyclopropabenzofuranyl pyridopyrazinediones PFIZER INC. (US) 2017-09-19 — — US disclosed
US-9765073-B2 Cyclopropabenzofuranyl pyridopyrazinediones PFIZER INC. (US) 2017-09-19 — — US disclosed
US-20170096428-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones PFIZER INC. 2017-04-06 — — US disclosed
US-20170096428-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones PFIZER INC. 2017-04-06 — — US disclosed
US-20170096428-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones PFIZER INC. 2017-04-06 — — US disclosed
WO-2016125048-A1 NOVEL CYCLOPROPABENZOFURANYL PYRIDOPYRAZINEDIONES PFIZER INC. (US) 2016-08-11 — — WO disclosed
WO-2016125048-A1 NOVEL CYCLOPROPABENZOFURANYL PYRIDOPYRAZINEDIONES PFIZER INC. (US) 2016-08-11 — — WO disclosed
US-20160222007-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones PFIZER (US) 2016-08-04 — — US disclosed
US-20160222007-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones PFIZER (US) 2016-08-04 — — US disclosed
US-20160222007-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones PFIZER (US) 2016-08-04 — — 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-20160222007-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones CYP4B1, RXRB, ADRA2B EPHX2 2201/4885PDE2A 291/4885APP 3160/4885
US-20170096428-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones CYP4B1, RXRB, ADRA2B EPHX2 2201/4885PDE2A 291/4885APP 3160/4885

“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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