SCHEMBL20719306

SCHEMBL20719306

CCn1ncc2cc(F)[c]cc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
CACNA1H O95180 6/20 0.33
HASPIN Q8TF76 1/20 0.33
NOTUM Q6P988 1/20 0.32
TGFBR1 P36897 1/20 0.30
PTGER3 P43115 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
SCHEMBL20719072 0.81 NOTUM (0.35) HTR2AHTR2CHASPINNOTUM
SCHEMBL25411271 0.77 TRPA1 (0.40) CACNA1HNOTUM
SCHEMBL24824382 0.72 HTR2A (0.65) HTR2AHTR2CCACNA1HTGFBR1
SCHEMBL1161513 0.70 TRPA1 (0.37) HTR2AHTR2CCACNA1HNOTUM
SCHEMBL3483006 0.70 HASPIN (0.32) HASPINNOTUM
SCHEMBL17593855 0.70 TSHR (0.41) HTR2AHTR2CCACNA1HHASPINNOTUM
SCHEMBL31716768 0.70 HTR2A (0.40) HTR2AHTR2CCACNA1HHASPINNOTUM
SCHEMBL188240 0.69 CYP1A2 (0.39) HTR2AHTR2CHASPINNOTUMPTGER3
SCHEMBL29520619 0.69 HTR2A (0.65) HTR2AHTR2CNOTUM
SCHEMBL15516226 0.68 HTR2A (0.38) HTR2AHTR2C

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 8 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 claimed
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US claimed
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 HTR2A 235/4885HTR2C 228/4885CACNA1H 3728/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 HTR2A 262/4885HTR2C 244/4885CACNA1H 3555/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 HTR2A 235/4885HTR2C 228/4885CACNA1H 3728/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 HTR2A 262/4885HTR2C 244/4885CACNA1H 3555/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 HTR2A 282/4885HTR2C 247/4885CACNA1H 3666/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 HTR2A 282/4885HTR2C 247/4885CACNA1H 3666/4885

“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.