SCHEMBL544401

SCHEMBL544401

COc1cccc(OC)c1-c1ccc(C(=O)O)cc1-c1ccc(Cl)c(OCCCN(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
KDM4E B2RXH2 5/20 0.43
THRA P10827 3/20 0.43
THRB P10828 3/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MCHR1 Q99705 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
RORC P51449 1/20 0.40
KDR P35968 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL544932 0.91 KDR (0.41) KDM4ETHRATHRBTDP1MCHR1
SCHEMBL544911 0.84 ITGB1 (0.39) MCHR1KDR
Hydrochloric Acid SCHEMBL544338 0.83 ITGB1 (0.38) MCHR1KDR
SCHEMBL544335 0.83 KMO (0.41) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL4041344 0.83 MRGPRX4 (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL543850 0.77 MAPT (0.36) KDM4EALDH1A1MAPTMAPK1ATM
SCHEMBL544895 0.75 PTGER1 (0.47) KDM4EALDH1A1LMNAMAPTATM
SCHEMBL4035530 0.74 KDM4E (0.45) KDM4ETHRATHRBALDH1A1LMNA
SCHEMBL544754 0.74 CTSA (0.41)
SCHEMBL544463 0.74 LPAR1 (0.43) KDR

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 PDE4A 1031/4885PDE4B 791/4885PDE4C 1201/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 PDE4A 1031/4885PDE4B 791/4885PDE4C 1201/4885

“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.