SCHEMBL20719581

SCHEMBL20719581

COc1nc(-c2ccc3cccc(F)c3c2)ccc1C1(C(C)C)N=C(SC)N(Cc2ccccc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 8/20 0.33
TDP1 Q9NUW8 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ADAMTS5 Q9UNA0 2/20 0.31
MMP12 P39900 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FASN P49327 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
SCHEMBL20719743 0.84 PTGER3 (0.31) PTGER3BACE1ADAMTS5MMP12
SCHEMBL20719285 0.81 PTGER3 (0.36) PTGER3TDP1PDE4APDE4BPDE4C
SCHEMBL20719054 0.79 TDP1 (0.39) PTGER3TDP1PDE4APDE4BPDE4C
SCHEMBL20719848 0.78 PTGER3 (0.33) PTGER3TDP1PDE4APDE4BPDE4C
SCHEMBL20719080 0.71 PTGER3 (0.35) PTGER3KDM4ENPSR1MEN1ALDH1A1
SCHEMBL20719493 0.70 PTGER3 (0.35) PTGER3KDM4EMEN1ALDH1A1HPGD
SCHEMBL20719130 0.70 PTGER3 (0.45) PTGER3
SCHEMBL20719305 0.69 PTGER3 (0.42) PTGER3
SCHEMBL20719007 0.67 PTGER3 (0.43) PTGER3
SCHEMBL20719586 0.67 PTGER3 (0.42) PTGER3

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 PTGER3 1/4885TDP1 4701/4885PDE4A 755/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 PTGER3 1/4885TDP1 4591/4885PDE4A 727/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PTGER3 1/4885TDP1 4701/4885PDE4A 755/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PTGER3 1/4885TDP1 4591/4885PDE4A 727/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 PTGER3 1/4885TDP1 4695/4885PDE4A 729/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PTGER3 1/4885TDP1 4695/4885PDE4A 729/4885

“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.