SCHEMBL544570

SCHEMBL544570

Cc1ccc(Cl)c(-c2ccc(C(=O)O)nc2-c2ccc(Cl)c(OCCCN(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
PAICS P22234 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
EIF4E P06730 1/20 0.38
CTSA P10619 2/20 0.37
KMO O15229 2/20 0.36
SYK P43405 1/20 0.36

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
Hydrochloric Acid SCHEMBL544394 0.93 KDM4E (0.44) KDM4EMAPTMAPK1ATMPAICS
SCHEMBL544260 0.91 KDM4E (0.42) KDM4EMAPTMAPK1ATMPAICS
SCHEMBL2488871 0.90 SLC6A9 (0.46) KDM4EMAPTMAPK1ATMPAICS
Hydrochloric Acid SCHEMBL914386 0.89 SLC6A9 (0.45) KDM4EMAPTMAPK1ATMPAICS
SCHEMBL912838 0.88 KDM4E (0.45) KDM4EMAPTMAPK1ATMPAICS
SCHEMBL912856 0.87 KDM4E (0.40) KDM4EMAPTMAPK1ATMPAICS
SCHEMBL913522 0.84 CTSA (0.41) KDM4EMAPTMAPK1ATMPAICS
SCHEMBL2488464 0.84 CTSA (0.46) CTSA
SCHEMBL913599 0.84 PAICS (0.41) KDM4EMAPTMAPK1ATMPAICS
SCHEMBL4038154 0.84 PAICS (0.39) KDM4EMAPTMAPK1ATMPAICS

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
EP-2439193-B1 Derivatives of 5,6-bisaryl-2-pyridine-carboxamide, preparation and use thereof in therapeutics as antagonists of urotensin II receptors SANOFI SA (FR) 2014-04-23 EP disclosed
US-8552201-B2 5, 6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI (FR) 2013-10-08 US disclosed
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS 2012-05-03 US disclosed
EP-2059508-B1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI SA (FR) 2012-04-11 EP disclosed
US-8110579-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI-AVENTIS (FR) 2012-02-07 US disclosed
US-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI AVENTIS 2009-12-24 US disclosed
EP-2059508-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-05-20 EP disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 WO 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 (2 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-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 KDM4E 3338/4885MAPT 3323/4885MAPK1 4304/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 KDM4E 3338/4885MAPT 3323/4885MAPK1 4304/4885

“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.