SCHEMBL20719362

SCHEMBL20719362

COc1nc(Cl)ccc1C(C=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 13/20 0.37
CD274 Q9NZQ7 13/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
USP2 O75604 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
MERTK Q12866 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL6378100 0.78 ALDH1A1 (0.44) PDCD1LG2CD274MAPTKMT2AMEN1
SCHEMBL19944086 0.77 PDCD1LG2 (0.41) PDCD1LG2CD274MAPTHPGDKMT2A
SCHEMBL17450814 0.76 SQOR (0.44) KMT2AMEN1
SCHEMBL20719011 0.75 PDCD1LG2 (0.40) PDCD1LG2CD274MAPTHPGDKMT2A
SCHEMBL3911268 0.72 IDO1 (0.50) KDM4EMAPTHPGDUSP2TP53
SCHEMBL19237081 0.71 CD274 (0.46) PDCD1LG2CD274MAPTHPGDKMT2A
SCHEMBL31523455 0.71 CD274 (0.46) PDCD1LG2CD274MAPTHPGDKMT2A
SCHEMBL20719228 0.70 PTGER3 (0.42) NPC1RAB9AKDM4EHPGDHSD17B10
SCHEMBL1515735 0.68 ACP3 (0.49) KDM4EMAPTCYP3A4TDP1KMT2A
SCHEMBL5207565 0.67 TYR (0.48) NPC1RAB9AMAPTHPGDCYP3A4

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 PDCD1LG2 4328/4885CD274 4471/4885NPC1 3947/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 PDCD1LG2 4342/4885CD274 4362/4885NPC1 3824/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PDCD1LG2 4328/4885CD274 4471/4885NPC1 3947/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PDCD1LG2 4342/4885CD274 4362/4885NPC1 3824/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 PDCD1LG2 4357/4885CD274 4472/4885NPC1 3967/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PDCD1LG2 4357/4885CD274 4472/4885NPC1 3967/4885

“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.