SCHEMBL20719645

SCHEMBL20719645

COc1nc(-c2ccc3ccccc3c2)ccc1C1(C)CN=C(SC)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 4/20 0.35
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAC1 P63000 2/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALPL P05186 1/20 0.33
PDGFRB P09619 1/20 0.33
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
USP2 O75604 1/20 0.31
CA12 O43570 1/20 0.31
CSNK2A1 P68400 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
MEN1 O00255 2/20 0.31

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
SCHEMBL20719408 0.79 KCNH2 (0.36) PTGER3KCNH2KDM4EALDH1A1NPC1
SCHEMBL20719435 0.77 PTGER3 (0.44) PTGER3KCNH2KDM4EALDH1A1NPC1
SCHEMBL20718995 0.76 PTGER3 (0.42) PTGER3KCNH2KDM4EALDH1A1NPC1
SCHEMBL20719272 0.76 PTGER3 (0.42) PTGER3KCNH2KDM4EALDH1A1NPC1
SCHEMBL20719065 0.76 PTGER3 (0.38) PTGER3KCNH2KDM4EALDH1A1NPC1
SCHEMBL20719838 0.74 PTGER3 (0.42) PTGER3KCNH2KDM4EALDH1A1NPC1
SCHEMBL20719284 0.74 PTGER3 (0.42) PTGER3KCNH2KDM4EALDH1A1NPC1
SCHEMBL20719839 0.74 PTGER3 (0.42) PTGER3KCNH2KDM4EALDH1A1NPC1
SCHEMBL20719080 0.74 PTGER3 (0.35) PTGER3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20719694 0.73 KCNH2 (0.35) PTGER3KCNH2KDM4EALDH1A1NPC1

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 1/4885KCNH2 2198/4885KDM4E 2833/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 PTGER3 1/4885KCNH2 2244/4885KDM4E 2898/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PTGER3 1/4885KCNH2 2198/4885KDM4E 2833/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PTGER3 1/4885KCNH2 2244/4885KDM4E 2898/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 PTGER3 1/4885KCNH2 2149/4885KDM4E 2938/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PTGER3 1/4885KCNH2 2149/4885KDM4E 2938/4885

“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.