Sugi Predict

Sugi Predict / Compounds / SCHEMBL913482

SCHEMBL913482

SCHEMBL913482

COC(=O)c1ccc(-c2ncc(Cl)cc2Cl)c(-c2ccc(Cl)c(OCc3ccc(OC)cc3)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.40
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ PPARD Q03181 2/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PPARG P37231 1/20 0.36

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
SCHEMBL912835 0.92 NOTUM (0.40) CNR1MRGPRX4NOTUMPOLBMAPT
SCHEMBL2492027 0.92 CSNK2A2 (0.41) CNR1MRGPRX4POLBMAPTCSNK2A2
SCHEMBL544317 0.91 CNR1 (0.49) CNR1MRGPRX4NOTUMALDH1A1GAA
SCHEMBL914548 0.86 NOTUM (0.45) CNR1NOTUMPOLBMAPTKDM4E
SCHEMBL913698 0.85 NOTUM (0.45) MRGPRX4NOTUMPOLBMAPTKDM4E
SCHEMBL912923 0.84 NOTUM (0.44) CNR1MRGPRX4NOTUMPOLBMAPT
SCHEMBL2488886 0.84 CSNK2A2 (0.39) CNR1MRGPRX4POLBMAPTCSNK2A2
SCHEMBL544355 0.84 NOTUM (0.40) CNR1NOTUMPOLBMAPTKDM4E
SCHEMBL4041924 0.82 PTGER1 (0.46) CNR1MRGPRX4GAA
SCHEMBL544918 0.81 PAICS (0.40) CNR1MRGPRX4MAPTKDM4ELMNA

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-8653276-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation thereof and therapeutic application thereof as urotensin II receptor antagonists SANOFI (FR) 2014-02-18 — — US disclosed
US-20130252974-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI (FR) 2013-09-26 — — US disclosed
US-8466292-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation thereof and therapeutic application thereof as urotensin II receptor antagonists SANOFI (FR) 2013-06-18 — — US disclosed
US-20110009426-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-13 — — 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-20110009426-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 CNR1 65/4885MRGPRX4 120/4885NOTUM 2370/4885
US-20130252974-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 CNR1 65/4885MRGPRX4 120/4885NOTUM 2370/4885

“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.