SCHEMBL20719085

SCHEMBL20719085

COc1nc(-c2ccc3ccccc3c2)ccc1C1(C)NC(=S)N(Cc2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
BACE1 P56817 1/20 0.39
ADAMTS5 Q9UNA0 4/20 0.39
MMP12 P39900 1/20 0.39
CNR1 P21554 2/20 0.39
PTGER3 P43115 2/20 0.38
KMT2A Q03164 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CXCR2 P25025 1/20 0.35
ELANE P08246 1/20 0.34
PDGFRB P09619 1/20 0.34

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
SCHEMBL20719054 0.78 TDP1 (0.39) TDP1BACE1ADAMTS5MMP12PTGER3
SCHEMBL20719632 0.77 TDP1 (0.38) TDP1ADAMTS5MMP12PTGER3KMT2A
SCHEMBL20719074 0.76 TDP1 (0.37) TDP1BACE1ADAMTS5MMP12PTGER3
SCHEMBL20719077 0.73 TDP1 (0.35) TDP1BACE1ADAMTS5MMP12PDE4A
SCHEMBL20719285 0.72 PTGER3 (0.36) TDP1BACE1ADAMTS5MMP12PTGER3
SCHEMBL20719492 0.72 TDP1 (0.34) TDP1BACE1ADAMTS5MMP12KMT2A
SCHEMBL20719435 0.70 PTGER3 (0.44) PTGER3KMT2APDGFRB
SCHEMBL7486579 0.70 CNR1 (0.59) CNR1KMT2AELANE
SCHEMBL20719140 0.69 PTGER3 (0.43) PTGER3PDGFRB
SCHEMBL6168721 0.68 CNR1 (0.54) CNR1KMT2AELANE

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 TDP1 4701/4885BACE1 3897/4885ADAMTS5 3122/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 TDP1 4591/4885BACE1 3750/4885ADAMTS5 3110/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 TDP1 4701/4885BACE1 3897/4885ADAMTS5 3122/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 TDP1 4591/4885BACE1 3750/4885ADAMTS5 3110/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 TDP1 4695/4885BACE1 3945/4885ADAMTS5 3154/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 TDP1 4695/4885BACE1 3945/4885ADAMTS5 3154/4885

“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.