SCHEMBL20719156

SCHEMBL20719156

COc1nc(-c2ccc3ccccc3c2)ccc1C(C)(N)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALPL P05186 1/20 0.42
PARP1 P09874 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
RAC1 P63000 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGER3 P43115 1/20 0.39

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
SCHEMBL9537088 0.82 SLC22A12 (0.44) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL20719545 0.81 NPC1 (0.40) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9538972 0.80 ALPL (0.44) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL20719713 0.80 ALDH1A1 (0.41) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9538404 0.77 MEN1 (0.41) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9538570 0.77 ALPL (0.40) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9534327 0.77 MEN1 (0.40) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9534859 0.75 MEN1 (0.41) KDM4EALDH1A1SMN1; SMN2ALPLSLC6A2
SCHEMBL20719845 0.75 SLC6A2 (0.49) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9536610 0.74 ALPL (0.43) NPC1RAB9AKDM4EALDH1A1SMN1; 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-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 NPC1 3947/4885RAB9A 3989/4885KDM4E 2833/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 NPC1 3824/4885RAB9A 3974/4885KDM4E 2898/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 NPC1 3947/4885RAB9A 3989/4885KDM4E 2833/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 NPC1 3824/4885RAB9A 3974/4885KDM4E 2898/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 NPC1 3967/4885RAB9A 3861/4885KDM4E 2938/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 NPC1 3967/4885RAB9A 3861/4885KDM4E 2938/4885

“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.