SCHEMBL20719283

SCHEMBL20719283

C=C(C)c1cccc2ccc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
PLAU P00749 2/20 0.36
MTNR1A P48039 1/20 0.36
ALDH1A1 P00352 4/20 0.35
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PTK2B Q14289 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
HTT P42858 1/20 0.34
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PRNP P04156 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL4537274 0.82 MEN1 (0.45) CYP2A6MEN1KMT2ARXFP1PLAU
SCHEMBL1506783 0.80 MCL1 (0.51) MEN1KMT2AMTNR1AKDM4ECYP1A2
SCHEMBL273123 0.77 PTK2B (0.55) CYP2A6MEN1KMT2AALDH1A1KDM4E
SCHEMBL29563474 0.77 PTK2B (0.55) CYP2A6MEN1KMT2AALDH1A1KDM4E
SCHEMBL29792669 0.76 NR4A1 (0.60) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL1668812 0.76 NR4A1 (0.60) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL7720356 0.76 CA1 (0.47) ALDH1A1KDM4EL3MBTL1HTTHPGD
SCHEMBL1978093 0.76 PLAU (0.37) PLAUMTNR1AL3MBTL1PTK2BCYP1A2
SCHEMBL5033431 0.76 CNR2 (0.47) CYP2A6MTNR1ACYP1A2CYP2D6TYMS
SCHEMBL31115692 0.76 ALDH1A1 (0.56) MEN1KMT2AMTNR1AALDH1A1KDM4E

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 CYP2A6 332/4885MEN1 2556/4885KMT2A 3850/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 CYP2A6 363/4885MEN1 2333/4885KMT2A 4001/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 CYP2A6 332/4885MEN1 2556/4885KMT2A 3850/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 CYP2A6 363/4885MEN1 2333/4885KMT2A 4001/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 CYP2A6 338/4885MEN1 2604/4885KMT2A 4033/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 CYP2A6 338/4885MEN1 2604/4885KMT2A 4033/4885

“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.