SCHEMBL544276

SCHEMBL544276

COC(=O)c1cnc(-c2ccccc2C)c(-c2ccc(Cl)c(OCc3ccccc3)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
CNR1 P21554 5/20 0.44
PTGER1 P34995 2/20 0.42
MCL1 Q07820 1/20 0.42
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 1/20 0.39
CTSA P10619 1/20 0.39
DHODH Q02127 1/20 0.39
PIK3CD O00329 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4038980 0.92 PTGER1 (0.47) NOTUMCNR1PTGER1MCL1MGAM
SCHEMBL28782031 0.88 NOTUM (0.48) NOTUMCNR1PTGER1MCL1MGAM
SCHEMBL544584 0.88 NOTUM (0.51) NOTUMCNR1PTGER1MCL1MGAM
SCHEMBL544225 0.85 NOTUM (0.46) NOTUMCNR1PTGER1MCL1MGAM
SCHEMBL545186 0.85 NOTUM (0.53) NOTUMCNR1PTGER1MCL1MGAM
SCHEMBL544290 0.85 NOTUM (0.53) NOTUMCNR1PTGER1MCL1MGAM
SCHEMBL544227 0.84 NOTUM (0.46) NOTUMCNR1PTGER1MCL1MGAM
SCHEMBL544928 0.82 NOTUM (0.52) NOTUMCNR1PTGER1MCL1MGAM
SCHEMBL544534 0.81 NOTUM (0.56) NOTUMCNR1PTGER1MCL1MGAM
SCHEMBL912923 0.81 NOTUM (0.44) NOTUMCNR1MCL1MRGPRX4SMN1; SMN2

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.