SCHEMBL20719492

SCHEMBL20719492

COc1nc(-c2ccc3ccccc3c2)ccc1C1(C)N=C(NCC2OCCO2)N(Cc2ccccc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
ADAMTS5 Q9UNA0 3/20 0.33
MMP12 P39900 1/20 0.33
BACE1 P56817 3/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
SCN9A Q15858 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
NR3C2 P08235 1/20 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
SCHEMBL20719077 0.81 TDP1 (0.35) TDP1ADAMTS5MMP12BACE1SMN1; SMN2
SCHEMBL20719054 0.79 TDP1 (0.39) TDP1ADAMTS5MMP12BACE1ALDH1A1
SCHEMBL20719074 0.76 TDP1 (0.37) TDP1ADAMTS5MMP12BACE1CD274
SCHEMBL20719085 0.72 TDP1 (0.40) TDP1ADAMTS5MMP12BACE1KMT2A
SCHEMBL20719632 0.69 TDP1 (0.38) TDP1ADAMTS5MMP12MEN1KMT2A
SCHEMBL20719140 0.64 PTGER3 (0.43) ALDH1A1MAPTSMN1; SMN2
SCHEMBL20719097 0.63 SLC6A2 (0.41) ALDH1A1MAPTSMN1; SMN2
SCHEMBL20719112 0.62 PDE10A (0.41) TDP1ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL20719298 0.61 OPRM1 (0.45) ALDH1A1MEN1KMT2AMAPT
SCHEMBL20719065 0.61 PTGER3 (0.38) BACE1ALDH1A1MEN1KMT2ASMN1; SMN2

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 4701/4885ADAMTS5 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.