SCHEMBL544584

SCHEMBL544584

COC(=O)c1ccc(-c2ccccc2C)c(-c2ccc(Cl)c(OCc3ccccc3)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
CNR1 P21554 4/20 0.47
PTGER1 P34995 5/20 0.43
MCL1 Q07820 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
THRB P10828 1/20 0.40
CTSA P10619 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39

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
SCHEMBL912923 0.93 NOTUM (0.44) NOTUMCNR1MCL1MRGPRX4SMN1; SMN2
SCHEMBL544699 0.93 NOTUM (0.49) NOTUMCNR1PTGER1MCL1MRGPRX4
SCHEMBL544928 0.92 NOTUM (0.52) NOTUMCNR1PTGER1MCL1MGAM
SCHEMBL4037851 0.91 PTGER1 (0.47) NOTUMPTGER1MCL1MRGPRX4MGAM
SCHEMBL27751889 0.88 NOTUM (0.49) NOTUMCNR1PTGER1MCL1MRGPRX4
SCHEMBL544276 0.88 NOTUM (0.50) NOTUMCNR1PTGER1MCL1MRGPRX4
SCHEMBL544311 0.86 MRGPRX4 (0.42) CNR1MCL1MRGPRX4CTSA
SCHEMBL2491639 0.86 MCL1 (0.43) NOTUMPTGER1MCL1MRGPRX4KDM4E
SCHEMBL544534 0.86 NOTUM (0.56) NOTUMCNR1PTGER1MCL1MRGPRX4
SCHEMBL544265 0.86 NOTUM (0.50) NOTUMCNR1PTGER1MCL1MGAM

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 NOTUM 3247/4885CNR1 51/4885PTGER1 483/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 NOTUM 3247/4885CNR1 51/4885PTGER1 483/4885

“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.