SCHEMBL20719160

SCHEMBL20719160

CCc1cccc2ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
CYP2A6 P11509 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 5/20 0.40
MTNR1B P49286 2/20 0.40
HTR6 P50406 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
DAO P14920 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ATM Q13315 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL15352040 0.85 CYP2A6 (0.43) CYP2A6MEN1KMT2AMTNR1AMTNR1B
SCHEMBL23088344 0.82 CYP2A6 (0.45) CYP2A6MEN1KMT2AMTNR1AMTNR1B
SCHEMBL15413750 0.82 CYP2A6 (0.45) CYP2A6MEN1KMT2AHTR6SIRT2
SCHEMBL29792679 0.82 CYP2A6 (0.45) CYP2A6MEN1KMT2AMTNR1AMTNR1B
SCHEMBL28605320 0.81 CYP2A6 (0.43) CYP2A6MEN1KMT2AMTNR1AMTNR1B
SCHEMBL12256751 0.81 CYP2A6 (0.43) CYP2A6MEN1KMT2ACYP1A2CYP2D6
SCHEMBL23088226 0.81 CYP2A6 (0.47) CYP2A6MEN1KMT2ADAOCYP1A2
SCHEMBL29792748 0.81 CYP2A6 (0.47) CYP2A6MEN1KMT2ADAOCYP1A2
SCHEMBL11166601 0.80 CYP2A6 (0.39) CYP2A6MEN1KMT2AMTNR1AMTNR1B
SCHEMBL3587711 0.79 TDP1 (0.64) MEN1KMT2AMTNR1AMTNR1BCYP1A2

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 GABRA1 1147/4885GABRB2 1148/4885CYP2A6 332/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 GABRA1 1101/4885GABRB2 1300/4885CYP2A6 363/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 GABRA1 1147/4885GABRB2 1148/4885CYP2A6 332/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 GABRA1 1101/4885GABRB2 1300/4885CYP2A6 363/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 GABRA1 1172/4885GABRB2 1229/4885CYP2A6 338/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 GABRA1 1172/4885GABRB2 1229/4885CYP2A6 338/4885

“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.