SCHEMBL16617214

SCHEMBL16617214

CCn1cc2c(F)cc(Br)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAT2A P31153 2/20 0.32
TSHR P16473 1/20 0.31
PDE4D Q08499 1/20 0.30
GCK P35557 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
SCHEMBL20719544 0.81 KDM4E (0.34) NPC1KDM4EALDH1A1TSHRPDE4D
SCHEMBL25716137 0.78 GRM2 (0.38) ALDH1A1MAT2A
SCHEMBL22804587 0.78 PDE4D (0.41) LMNAKDM4EALDH1A1TSHRPDE4D
SCHEMBL15910912 0.78 NQO2 (0.39) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL16722440 0.77 ALDH1A1 (0.39) MAPTKDM4EALDH1A1
SCHEMBL5076661 0.77 ADORA3 (0.40) LMNAMAPT
SCHEMBL22912925 0.75 PARK7 (0.41) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL17682469 0.72 AR (0.39) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL2588229 0.72 KDM4E (0.46) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL25103763 0.70 NPC1 (0.39) NPC1RAB9ALMNAMAPTKDM4E

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 9 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-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) 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
EP-3055300-B1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER (US) 2018-03-07 EP disclosed
US-9278953-B2 Antagonists of prostaglandin EP3 receptor PFIZER INC. (US) 2016-03-08 US disclosed
US-20150099782-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER INC. (US) 2015-04-09 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 (7 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 3989/4885LMNA 1335/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 NPC1 3824/4885RAB9A 3974/4885LMNA 1286/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 NPC1 3947/4885RAB9A 3989/4885LMNA 1335/4885
US-20150099782-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PTGER3, PTGES3, PTGER2 NPC1 3292/4885RAB9A 4234/4885LMNA 2327/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 NPC1 3824/4885RAB9A 3974/4885LMNA 1286/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 NPC1 3967/4885RAB9A 3861/4885LMNA 1291/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 NPC1 3967/4885RAB9A 3861/4885LMNA 1291/4885

“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.