SCHEMBL909439

SCHEMBL909439

COc1cc(/C=C/c2nc3n(n2)CCCC3c2ccccc2C(F)(F)F)cnc1-n1cnc(C)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.68
PSEN2 P49810 12/20 0.68
APH1B Q8WW43 12/20 0.68
NCSTN Q92542 12/20 0.68
APH1A Q96BI3 12/20 0.68
PSENEN Q9NZ42 12/20 0.68
CYP2C9 P11712 4/20 0.62
CYP3A4 P08684 3/20 0.62
CYP2C19 P33261 2/20 0.46
KCNH2 Q12809 2/20 0.44

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
SCHEMBL909441 1.00 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12669164 1.00 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12669187 1.00 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909406 0.96 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909407 0.96 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12669213 0.96 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12669199 0.96 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12669059 0.89 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL908729 0.89 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL908728 0.89 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 EP disclosed
EP-2559693-A1 Polycyclic compound Eisai R&D Management Co., Ltd. (JP) 2013-02-20 EP disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 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 (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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 9/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 PSEN1 2/4885PSEN2 5/4885APH1B 36/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 7/4885

“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.