SCHEMBL543860

SCHEMBL543860

COC(=O)c1ccc(-c2ccccn2)c(-c2ccc(Cl)c(OCCCN(C)C)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 1/20 0.40
TGFBR1 P36897 1/20 0.40
PAICS P22234 3/20 0.37
ATM Q13315 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KDR P35968 1/20 0.37
GRM4 Q14833 2/20 0.36
ALOX15 P16050 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PTPN1 P18031 1/20 0.35
HSP90AB1 P08238 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL4041629 0.91 ACVR1B (0.41) ACVR1BTGFBR1PAICSATMKDM4E
SCHEMBL544971 0.89 PAICS (0.38) PAICSATMKDM4EMAPTMAPK1
SCHEMBL544621 0.88 SLC6A9 (0.42) PAICSATMKDM4EMAPTMAPK1
SCHEMBL544217 0.87 KDM4E (0.41) PAICSATMKDM4EMAPTMAPK1
SCHEMBL544620 0.85 NOTUM (0.50) KDM4ENOTUM
SCHEMBL544260 0.84 KDM4E (0.42) PAICSATMKDM4EMAPTMAPK1
SCHEMBL544918 0.83 PAICS (0.40) PAICSATMKDM4EMAPTMAPK1
Hydrochloric Acid SCHEMBL543957 0.81 NTSR1 (0.40) ACVR1BTGFBR1PAICSATMKDR
Hydrochloric Acid SCHEMBL16493651 0.80 ACVR1B (0.34) ACVR1BTGFBR1PAICSATMKDM4E
SCHEMBL4038154 0.79 PAICS (0.39) PAICSATMKDM4EMAPTMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 ACVR1B 1754/4885TGFBR1 1698/4885PAICS 256/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 ACVR1B 1754/4885TGFBR1 1698/4885PAICS 256/4885

“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.