SCHEMBL752022

SCHEMBL752022

CC(C)(C)ONCCc1cc(CCc2ccccc2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.40
MAPK1 P28482 2/20 0.39
PLA2G2A P14555 3/20 0.37
EGFR P00533 3/20 0.37
LMNA P02545 1/20 0.37
APP P05067 1/20 0.37
HTT P42858 1/20 0.37
KCNH2 Q12809 1/20 0.37
BACE1 P56817 1/20 0.35
HTR7 P34969 1/20 0.35
NAE1 Q13564 2/20 0.35
UBA3 Q8TBC4 2/20 0.35
ATM Q13315 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL755006 0.81 MAP2K7 (0.40) MAP2K7MAPK1EGFRLMNAAPP
SCHEMBL755313 0.79 TAAR1 (0.58) MAP2K7MAPK1EGFRLMNAAPP
SCHEMBL13754947 0.78 KCNH2 (0.56) MAP2K7MAPK1EGFRLMNAAPP
SCHEMBL3432650 0.76 MAP2K7 (0.44) MAP2K7MAPK1PLA2G2AEGFRLMNA
SCHEMBL752036 0.75 SIGMAR1 (0.45) MAP2K7MAPK1EGFRLMNAAPP
SCHEMBL757063 0.75 L3MBTL1 (0.58) MAP2K7MAPK1EGFRLMNAAPP
SCHEMBL752175 0.75 GAA (0.58) KCNH2
SCHEMBL753320 0.73 SIGMAR1 (0.41) MAP2K7MAPK1EGFRLMNAAPP
SCHEMBL13754981 0.71 KCNH2 (0.47) MAP2K7MAPK1EGFRLMNAAPP
SCHEMBL6810696 0.71 HTR2A (0.54) KCNH2BACE1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT MAP2K7 1723/4885MAPK1 3173/4885PLA2G2A 4857/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAP2K7 1314/4885MAPK1 3073/4885PLA2G2A 4850/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAP2K7 1314/4885MAPK1 3073/4885PLA2G2A 4850/4885

“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.