SCHEMBL20719606

SCHEMBL20719606

COc1nc(-c2ccc3ccccc3c2)ccc1C(C#N)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SQOR Q9Y6N5 7/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAC1 P63000 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDR P35968 1/20 0.36
PDCD1LG2 Q9BQ51 3/20 0.36
CD274 Q9NZQ7 3/20 0.36
ALPL P05186 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL20719180 0.84 PTGER3 (0.40) SQOR
SCHEMBL20719027 0.77 AKR1C3 (0.44) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL20718980 0.76 PTGER3 (0.56) KDM4EALDH1A1SQORRAB9ANPC1
SCHEMBL20719450 0.74 CTSA (0.41) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL9535376 0.74 ALPL (0.43) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL20719656 0.74 MEN1 (0.41) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL20719025 0.74 PTGER3 (0.43) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL20719436 0.74 RAC1 (0.37) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL9533905 0.73 ALPL (0.43) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL20719713 0.71 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2ASQOR

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 KDM4E 2833/4885ALDH1A1 2314/4885MEN1 2556/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 KDM4E 2898/4885ALDH1A1 1953/4885MEN1 2333/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 KDM4E 2833/4885ALDH1A1 2314/4885MEN1 2556/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 KDM4E 2898/4885ALDH1A1 1953/4885MEN1 2333/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 KDM4E 2938/4885ALDH1A1 2320/4885MEN1 2604/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 KDM4E 2938/4885ALDH1A1 2320/4885MEN1 2604/4885

“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.