SCHEMBL20719498

SCHEMBL20719498

COc1nc(-c2ccc3cccc(F)c3c2)ccc1C1(C(C)(C)C)CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GLA P06280 1/20 0.35
PTGER3 P43115 7/20 0.33
FPR2 P25090 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK14 Q16539 1/20 0.32
SQOR Q9Y6N5 1/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL20719253 0.76 ALOX15 (0.39) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL20719776 0.74 PTGER3 (0.41) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL20719310 0.74 PDCD1LG2 (0.37) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL20719411 0.73 PTGER3 (0.40) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL20719490 0.73 KDM4E (0.39) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL20719655 0.72 PDCD1LG2 (0.36) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL20719293 0.71 CD274 (0.45)
SCHEMBL20719586 0.71 PTGER3 (0.42) PTGER3
SCHEMBL20719443 0.71 PTGER3 (0.44) PTGER3
SCHEMBL20718997 0.70 METAP2 (0.42) ALDH1A1KDM4ENPC1RAB9APTGER3

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 ALDH1A1 2314/4885HPGD 114/4885HSD17B10 2000/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 ALDH1A1 1953/4885HPGD 107/4885HSD17B10 2065/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 ALDH1A1 2314/4885HPGD 114/4885HSD17B10 2000/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 ALDH1A1 1953/4885HPGD 107/4885HSD17B10 2065/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 ALDH1A1 2320/4885HPGD 130/4885HSD17B10 2081/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 ALDH1A1 2320/4885HPGD 130/4885HSD17B10 2081/4885

“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.