SCHEMBL544311

SCHEMBL544311

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.42
CTSA P10619 3/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
CNR1 P21554 1/20 0.39
S1PR1 P21453 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PPARD Q03181 1/20 0.38
SYK P43405 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL4043788 0.92 MRGPRX4 (0.43) MRGPRX4CTSARXRARXRBRXRG
SCHEMBL27869500 0.89 MRGPRX4 (0.40) MRGPRX4RXRARXRBRXRGCNR1
SCHEMBL544470 0.87 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRGMCL1
SCHEMBL544584 0.86 NOTUM (0.51) MRGPRX4CTSACNR1MCL1
SCHEMBL544403 0.85 SLC6A9 (0.40) MRGPRX4CTSAS1PR1SYK
SCHEMBL912923 0.80 NOTUM (0.44) MRGPRX4CTSACNR1MCL1
SCHEMBL544699 0.79 NOTUM (0.49) MRGPRX4CTSACNR1MCL1
SCHEMBL27751880 0.79 MRGPRX4 (0.41) MRGPRX4RXRARXRBRXRGMCL1
SCHEMBL544928 0.79 NOTUM (0.52) CTSACNR1MCL1
SCHEMBL4047738 0.78 MRGPRX4 (0.47) MRGPRX4RXRARXRBRXRGMCL1

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 MRGPRX4 124/4885CTSA 379/4885RXRA 1770/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 MRGPRX4 124/4885CTSA 379/4885RXRA 1770/4885

“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.