SCHEMBL2489381

SCHEMBL2489381

CC(=O)Nc1c[c]ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 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
SCHEMBL7399776 0.85 HDAC1 (0.46) HDAC1HDAC6CA1CA2CA9
SCHEMBL5831442 0.82 ALDH1A1 (0.44) CA1CA2CA9ALDH1A1HPGD
SCHEMBL220305 0.81 ALDH1A1 (0.57) ALDH1A1HPGDNPC1RAB9APOLB
SCHEMBL28316733 0.81 PDK1 (0.46) ALDH1A1RAB9APOLBMAPTKDM4E
SCHEMBL1477556 0.81 MDM4 (0.45) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1545001 0.79 POLB (0.47) HDAC1CA1CA2CA9ALDH1A1
SCHEMBL27570042 0.79 PDK1 (0.44) CA1CA2CA9NPC1RAB9A
SCHEMBL10803626 0.78 NPC1 (0.43) HDAC1HDAC6CA1CA2CA9
SCHEMBL2894903 0.78 ALDH1A1 (0.46) CA1CA2CA9ALDH1A1HPGD
SCHEMBL10807629 0.78 HDAC1 (0.46) HDAC1CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use ABBVIE INC. (US) 2020-02-11 US claimed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP claimed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO claimed
US-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use ABBVIE INC. (US) 2020-02-11 US disclosed
EP-2383268-B1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2015-09-02 EP disclosed
US-8835465-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2014-09-16 US disclosed
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-11 US disclosed
US-8324252-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2012-12-04 US disclosed
CN-101155800-B Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB 2012-05-23 CN disclosed
EP-2383268-A1 Pyrazolylaminopyridine derivatives useful as kinase inhibitors AstraZeneca AB (SE) 2011-11-02 EP disclosed
EP-1846394-B1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-10-26 EP disclosed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases ASTRAZENECA AB (SE) 2008-06-12 US disclosed
CN-101155800-A Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2008-04-02 CN disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
EP-1846394-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AstraZeneca AB (SE) 2007-10-24 EP disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed
WO-2006082392-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-08-10 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 (4 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-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases CNKSR1, LTK, MUSK HDAC1 1422/4885HDAC6 1322/4885CA1 4173/4885
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K2 HDAC1 633/4885HDAC6 805/4885CA1 4807/4885
US-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use GABRB1, GABBR1, GABBR2 HDAC1 2014/4885HDAC6 1347/4885CA1 2171/4885
US-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A HDAC1 89/4885HDAC6 108/4885CA1 1427/4885

“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.