SCHEMBL20719139

SCHEMBL20719139

N#Cc1cccc2ccc(OS(=O)(=O)C(F)(F)F)cc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
HTR1A P08908 5/20 0.39
HTR1D P28221 5/20 0.39
HTR1B P28222 5/20 0.39
HSD11B1 P28845 1/20 0.38
PPARG P37231 1/20 0.38
CA9 Q16790 1/20 0.36
HTT P42858 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
AR P10275 3/20 0.34

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
SCHEMBL6812144 0.89 PDE4A (0.40) PDE4APDE4CPDE4DCA1CA2
SCHEMBL3020213 0.80 ABCC8 (0.42) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL25632695 0.80 HTR1A (0.42) PDE4APDE4CPDE4DCA1CA2
SCHEMBL8016986 0.80 HTR1A (0.42) PDE4APDE4CPDE4DCA1CA2
SCHEMBL4542485 0.80 HTR1A (0.45) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL30290794 0.79 CA1 (0.46) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL2749248 0.79 PDE4A (0.47) PDE4APDE4CPDE4DCA1CA2
SCHEMBL25060822 0.78 CA1 (0.43) PDE4APDE4CPDE4DCA1CA2
SCHEMBL20719110 0.78 HTR1A (0.41) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL20719109 0.78 HTR1A (0.44) PDE4APDE4CPDE4DCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2020-03-17 US disclosed
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-09-03 US disclosed
US-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-07-02 US disclosed
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 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 (6 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-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 PDE4A 755/4885PDE4C 1688/4885PDE4D 1438/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 PDE4A 727/4885PDE4C 1649/4885PDE4D 1421/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PDE4A 755/4885PDE4C 1688/4885PDE4D 1438/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PDE4A 727/4885PDE4C 1649/4885PDE4D 1421/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 PDE4A 729/4885PDE4C 1604/4885PDE4D 1438/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PDE4A 729/4885PDE4C 1604/4885PDE4D 1438/4885

“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.