SCHEMBL20719146

SCHEMBL20719146

CCC(C#N)(CC)c1ccc(Cl)nc1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
AR P10275 2/20 0.33
PDCD1LG2 Q9BQ51 3/20 0.32
CD274 Q9NZQ7 3/20 0.32
MERTK Q12866 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
CASP1 P29466 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL20719835 0.77 SQOR (0.31)
SCHEMBL17477901 0.75 CCR4 (0.41) PDCD1LG2CD274MERTKCRHBPCRHR2
SCHEMBL20719730 0.73 PDCD1LG2 (0.34) PDCD1LG2CD274MERTKCRHBPCRHR2
SCHEMBL16617001 0.72 ABCB11 (0.35) L3MBTL1PDCD1LG2CD274KDM4EMEN1
SCHEMBL16617494 0.72 PLCG1 (0.34) L3MBTL1PDCD1LG2CD274MEN1MAPT
SCHEMBL3508448 0.70 CD274 (0.37) L3MBTL1PDCD1LG2CD274MERTKCRHBP
SCHEMBL20719250 0.69 TSHR (0.37) L3MBTL1PDCD1LG2CD274SMN1; SMN2MEN1
SCHEMBL2176428 0.68 L3MBTL1 (0.58) L3MBTL1MERTKCRHBPCRHR2ALDH1A1
SCHEMBL29983776 0.68 L3MBTL1 (0.58) L3MBTL1MERTKCRHBPCRHR2ALDH1A1
SCHEMBL20719692 0.68 PDCD1LG2 (0.43) L3MBTL1PDCD1LG2CD274

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 L3MBTL1 4824/4885AR 2183/4885PDCD1LG2 4328/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 L3MBTL1 4810/4885AR 2262/4885PDCD1LG2 4342/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 L3MBTL1 4824/4885AR 2183/4885PDCD1LG2 4328/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 L3MBTL1 4810/4885AR 2262/4885PDCD1LG2 4342/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 L3MBTL1 4815/4885AR 2208/4885PDCD1LG2 4357/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 L3MBTL1 4815/4885AR 2208/4885PDCD1LG2 4357/4885

“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.