SCHEMBL20719408

SCHEMBL20719408

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
PTGER3 P43115 4/20 0.35
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 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
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HPGD P15428 3/20 0.31
HSD17B10 Q99714 3/20 0.31
MAPT P10636 3/20 0.31
MAPK1 P28482 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
SCHEMBL20719645 0.79 PTGER3 (0.35) KCNH2PTGER3KDM4EALDH1A1RAB9A
SCHEMBL20719435 0.74 PTGER3 (0.44) KCNH2PTGER3KDM4EALDH1A1RAB9A
SCHEMBL20719493 0.73 PTGER3 (0.35) PTGER3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20719839 0.72 PTGER3 (0.42) KCNH2PTGER3KDM4EALDH1A1RAB9A
SCHEMBL20719284 0.72 PTGER3 (0.42) KCNH2PTGER3KDM4EALDH1A1RAB9A
SCHEMBL20718995 0.72 PTGER3 (0.42) KCNH2PTGER3KDM4EALDH1A1RAB9A
SCHEMBL20719838 0.72 PTGER3 (0.42) KCNH2PTGER3KDM4EALDH1A1RAB9A
SCHEMBL20719272 0.72 PTGER3 (0.42) KCNH2PTGER3KDM4EALDH1A1RAB9A
SCHEMBL20719065 0.72 PTGER3 (0.38) KCNH2PTGER3KDM4EALDH1A1RAB9A
SCHEMBL20719140 0.69 PTGER3 (0.43) KCNH2PTGER3KDM4EALDH1A1RAB9A

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