SCHEMBL20719376

SCHEMBL20719376

CCOC(=O)C(OCC#N)(c1ccc(Cl)nc1OC)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABCB11 O95342 1/20 0.30
TSHR P16473 1/20 0.30
HTR2A P28223 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
SCHEMBL16617001 0.78 ABCB11 (0.35) GAATDP1KMT2AL3MBTL1MEN1
SCHEMBL20719250 0.74 TSHR (0.37) GAATDP1KMT2AL3MBTL1MEN1
SCHEMBL16617651 0.74 CYP1A2 (0.40) GAATDP1KMT2AL3MBTL1MEN1
SCHEMBL16617494 0.69 PLCG1 (0.34) GAAKMT2AL3MBTL1MEN1MAPT
SCHEMBL20719128 0.68 ALDH1A1 (0.38) KMT2AL3MBTL1MEN1ALDH1A1CYP1A2
SCHEMBL16617119 0.68 PDCD1LG2 (0.35) GAAKMT2AL3MBTL1MEN1MAPT
SCHEMBL20718996 0.67 MEN1 (0.34) KMT2AL3MBTL1MEN1MAPT
SCHEMBL16616920 0.67 PDCD1LG2 (0.42) GAATDP1KMT2AL3MBTL1MEN1
SCHEMBL20719216 0.66 TNF (0.37) GAATDP1KMT2AL3MBTL1MEN1
SCHEMBL20719146 0.66 L3MBTL1 (0.34) GAAKMT2AL3MBTL1MEN1MAPT

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-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 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-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 GAA 3930/4885TDP1 4701/4885KMT2A 3850/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 GAA 3911/4885TDP1 4591/4885KMT2A 4001/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 GAA 3930/4885TDP1 4701/4885KMT2A 3850/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 GAA 3911/4885TDP1 4591/4885KMT2A 4001/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 GAA 3844/4885TDP1 4695/4885KMT2A 4033/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 GAA 3844/4885TDP1 4695/4885KMT2A 4033/4885

“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.