SCHEMBL20719054

SCHEMBL20719054

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ADAMTS5 Q9UNA0 3/20 0.36
MMP12 P39900 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
BACE1 P56817 3/20 0.33
ELANE P08246 1/20 0.33
PTGER3 P43115 1/20 0.33
PDGFRB P09619 1/20 0.33
ADORA2A P29274 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIM1 P11309 1/20 0.32

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
SCHEMBL20719074 0.83 TDP1 (0.37) TDP1ADAMTS5MMP12PDE4APDE4B
SCHEMBL20719077 0.80 TDP1 (0.35) TDP1ADAMTS5MMP12PDE4APDE4B
SCHEMBL20719492 0.79 TDP1 (0.34) TDP1ADAMTS5MMP12PDE4APDE4B
SCHEMBL20719581 0.79 PTGER3 (0.33) TDP1ADAMTS5MMP12PDE4APDE4B
SCHEMBL20719085 0.78 TDP1 (0.40) TDP1ADAMTS5MMP12PDE4APDE4B
SCHEMBL20719632 0.76 TDP1 (0.38) TDP1ADAMTS5MMP12PDE4APDE4B
SCHEMBL7484402 0.71 ELANE (0.50) BACE1ELANEKDM4EALDH1A1
SCHEMBL20719140 0.70 PTGER3 (0.43) PTGER3PDGFRBKDM4EALDH1A1
SCHEMBL20719408 0.68 KCNH2 (0.36) PTGER3PDGFRBMEN1KMT2AKDM4E
SCHEMBL20719645 0.66 PTGER3 (0.35) PTGER3PDGFRBMEN1KMT2AKDM4E

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 TDP1 4701/4885ADAMTS5 3122/4885MMP12 3994/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 TDP1 4591/4885ADAMTS5 3110/4885MMP12 4027/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 TDP1 4701/4885ADAMTS5 3122/4885MMP12 3994/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 TDP1 4591/4885ADAMTS5 3110/4885MMP12 4027/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 TDP1 4695/4885ADAMTS5 3154/4885MMP12 3939/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 TDP1 4695/4885ADAMTS5 3154/4885MMP12 3939/4885

“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.