SCHEMBL755806

SCHEMBL755806

O=C(O)C=Cc1cccnc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
NFKB1 P19838 1/20 0.50
CA4 P22748 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
MIF P14174 1/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
HDAC3 O15379 1/20 0.42
TNKS O95271 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL2456986 1.00 CA1 (0.50) CA1CA2NFKB1CA4NAPRT
SCHEMBL13825716 0.84 MAPT (0.51) NAPRTMAPTHTTKDM4EMEN1
SCHEMBL30305066 0.84 CCNC (0.45) NFKB1NAPRTMAPTKDM4EMEN1
SCHEMBL7367540 0.83 CYP3A4 (0.55) NFKB1MAPTKDM4EKMT2A
SCHEMBL8486922 0.80 NAPRT (0.48) NAPRTMAPTKDM4EMEN1KMT2A
SCHEMBL8486928 0.80 NAPRT (0.48) NAPRTMAPTKDM4EMEN1KMT2A
SCHEMBL2455418 0.80 ALDH1A1 (0.45) CA1CA2NAPRTMAPTHTT
SCHEMBL2455412 0.80 ALDH1A1 (0.45) CA1CA2NAPRTMAPTHTT
SCHEMBL19851886 0.79 CA1 (0.50) CA1CA2NFKB1CA4MAPT
SCHEMBL18260244 0.79 TRIM24 (0.56) CA1CA2NFKB1CA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431502-B1 CYANIDE-FREE SILVER ELECTROPLATING SOLUTIONS ROHM & HAAS ELECT MAT (US) 2017-05-24 EP claimed
EP-2431502-A2 Cyanide-free silver electroplating solutions Rohm and Haas Electronic Materials LLC (US) 2012-03-21 EP claimed
US-10894785-B2 Piperidine derivatives for use in the treatment of pancreatic cancer CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS CHUV 2021-01-19 US disclosed
US-20190185452-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS CHUV (CH) 2019-06-20 US disclosed
EP-3494111-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER Centre Hospitalier Universitaire Vaudois (CHUV) (CH) 2019-06-12 EP disclosed
WO-2018024907-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS CHUV (CH) 2018-02-08 WO disclosed
EP-3279192-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER Centre Hospitalier Universitaire Vaudois (CHUV) (CH) 2018-02-07 EP disclosed
EP-2431502-B1 CYANIDE-FREE SILVER ELECTROPLATING SOLUTIONS ROHM & HAAS ELECT MAT (US) 2017-05-24 EP disclosed
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
EP-2364306-B1 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC (US) 2013-04-24 EP disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
EP-2376455-B1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
EP-2431502-A2 Cyanide-free silver electroplating solutions Rohm and Haas Electronic Materials LLC (US) 2012-03-21 EP disclosed
EP-2376455-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2011-10-19 EP disclosed
EP-2364306-A1 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors Amgen Inc. (US) 2011-09-14 EP disclosed
WO-2010077992-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-07-08 WO disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
WO-2010057126-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 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-10894785-B2 Piperidine derivatives for use in the treatment of pancreatic cancer RNASE1, PKD1, GPR6 CA1 3681/4885CA2 1608/4885NFKB1 257/4885
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A CA1 4349/4885CA2 4272/4885NFKB1 3045/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A CA1 4349/4885CA2 4272/4885NFKB1 3045/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D CA1 3188/4885CA2 2183/4885NFKB1 2113/4885
US-20190185452-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER RNASE1, PKD1, GPR6 CA1 3704/4885CA2 1617/4885NFKB1 292/4885

“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.