SCHEMBL1601408

SCHEMBL1601408

CC(=O)c1[c]cc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
ACHE P22303 1/20 0.33
MAOB P27338 2/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CYP1A2 P05177 1/20 0.32
PTGS2 P35354 1/20 0.32
ABCB1 P08183 1/20 0.31
PTGS1 P23219 1/20 0.31
BCL2L1 Q07817 1/20 0.30
BAD Q92934 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL3062621 0.76 MAPT (0.41) CES2CES1KMT2ANOS3NOS1
SCHEMBL8463456 0.76 ALDH1A1 (0.41) CES2CES1ACHEMAOBMEN1
SCHEMBL3956678 0.71 HPGD (0.43) CES2CES1ACHECA1CA2
SCHEMBL6174528 0.71 ALDH1A1 (0.41) MAOBKMT2A
SCHEMBL5645014 0.69 MEN1 (0.44) MEN1POLBKMT2ACA1CA2
Acetone SCHEMBL27946364 0.67 CES2 (0.58) CES2CES1ACHEMEN1POLB
Acetic Acid SCHEMBL27477631 0.65 CES2 (0.55) CES2CES1ACHEMEN1POLB
SCHEMBL27709 0.64
SCHEMBL303555 0.64
SCHEMBL1696183 0.64 CES2 (0.62) CES2CES1MAOBKMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110637023-B Dibenzopyrrole methine boron chelate compound, near infrared light absorbing material, thin film, and organic electronic device 日本化药株式会社 2022-07-08 CN disclosed
US-10749116-B1 Dibenzopyrromethene boron chelate compound, near-infrared light-absorbing material, thin-film, and organic electronic device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2020-08-18 US disclosed
US-20200243774-A1 Dibenzopyrromethene Boron Chelate Compound, Near-Infrared Light-Absorbing Material, Thin-Film, and Organic Electronic Device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2020-07-30 US disclosed
CN-110637023-A Dibenzopyrrole methine boron chelate compound, near-infrared light absorbing material, thin film and organic electronic device 日本化药株式会社 2019-12-31 CN disclosed
EP-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP disclosed
CN-101437819-B Pyridopyrazines and derivatives thereof as alk and c-MET inhibitors CEPHALON INC 2013-06-19 CN disclosed
US-8080561-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2011-12-20 US disclosed
US-20110160204-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2011-06-30 US disclosed
US-7919502-B2 Pyridopyrazines and derivatives thereof as ALK and c-MET inhibitors CEPHALON, INC. (US) 2011-04-05 US disclosed
US-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2010-02-25 US disclosed
US-7601716-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2009-10-13 US disclosed
EP-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 EP disclosed
CN-101437819-A Pyridopyrazines and derivatives thereof as ALK and c-MET inhibitors CEPHALON INC (US) 2009-05-20 CN disclosed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 US disclosed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 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 (5 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-20200243774-A1 Dibenzopyrromethene Boron Chelate Compound, Near-Infrared Light-Absorbing Material, Thin-Film, and Organic Electronic Device CX3CR1, CRY1, PAX3 CES2 3569/4885CES1 4191/4885ACHE 2798/4885
US-20110160204-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET CES2 2095/4885CES1 1472/4885ACHE 3670/4885
US-10749116-B1 Dibenzopyrromethene boron chelate compound, near-infrared light-absorbing material, thin-film, and organic electronic device CX3CR1, CRY1, PAX3 CES2 3512/4885CES1 4178/4885ACHE 2770/4885
US-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET CES2 2095/4885CES1 1472/4885ACHE 3670/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET CES2 2095/4885CES1 1472/4885ACHE 3670/4885

“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.