SCHEMBL909015

SCHEMBL909015

Cc1cn(-c2ccc(F)nc2N)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.43
PSEN2 P49810 14/20 0.43
APH1B Q8WW43 14/20 0.43
NCSTN Q92542 14/20 0.43
APH1A Q96BI3 14/20 0.43
PSENEN Q9NZ42 14/20 0.43
NR2E1 Q9Y466 1/20 0.40
KCNH2 Q12809 2/20 0.39
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
EGLN2 Q96KS0 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL909404 0.85 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909780 0.85 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909507 0.79 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616928 0.75 NR2E1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29640808 0.75 CYP2E1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL970409 0.72 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909230 0.72 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12796811 0.72 CYP2E1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17555719 0.71 NOS3 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616168 0.71 ALDH1A1 (0.49) 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.