SCHEMBL544217

SCHEMBL544217

COC(=O)c1ccc(-c2ccccc2C)c(-c2ccc(Cl)c(OCCCN(C)C)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ATM Q13315 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A9 P48067 3/20 0.39
PAICS P22234 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
KDR P35968 1/20 0.35
CTSA P10619 3/20 0.35
HSP90AB1 P08238 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOTUM Q6P988 1/20 0.35
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.35
KMT2A Q03164 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
SCHEMBL544621 0.93 SLC6A9 (0.42) KDM4EATMMAPTMAPK1SLC6A9
SCHEMBL912838 0.91 KDM4E (0.45) KDM4EATMMAPTMAPK1SLC6A9
SCHEMBL544260 0.88 KDM4E (0.42) KDM4EATMMAPTMAPK1PAICS
SCHEMBL544403 0.87 SLC6A9 (0.40) KDM4EATMSLC6A9MRGPRX4CTSA
SCHEMBL543860 0.87 ACVR1B (0.40) KDM4EATMMAPTMAPK1PAICS
SCHEMBL544971 0.86 PAICS (0.38) KDM4EATMMAPTMAPK1PAICS
SCHEMBL544584 0.84 NOTUM (0.51) KDM4EMAPTMRGPRX4CTSASMN1; SMN2
SCHEMBL912161 0.84 CTSA (0.38) CTSA
SCHEMBL544918 0.84 PAICS (0.40) KDM4EATMMAPTMAPK1PAICS
SCHEMBL914203 0.84 CTSA (0.39) CTSA

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 KDM4E 3338/4885ATM 4628/4885MAPT 3323/4885
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 3338/4885ATM 4628/4885MAPT 3323/4885

“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.