SCHEMBL913468

SCHEMBL913468

COC(=O)C1(NC(=O)c2ccc(-c3ncc(F)cc3Cl)c(-c3ccc(Cl)c(OCCCN(C)C)c3)n2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAICS P22234 2/20 0.35
DGAT2 Q96PD7 1/20 0.35
LPAR1 Q92633 2/20 0.34
CTSA P10619 4/20 0.33
PDE5A O76074 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
RET P07949 1/20 0.33
P2RX7 Q99572 4/20 0.33
ERAP1 Q9NZ08 1/20 0.32
HSP90AB1 P08238 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL2490910 0.94 LPAR1 (0.37) PAICSLPAR1CTSAPDE5APDE4D
Hydrochloric Acid SCHEMBL544507 0.94 LPAR1 (0.37) PAICSLPAR1CTSAPDE5APDE4D
SCHEMBL914421 0.93 PAICS (0.35) PAICSDGAT2LPAR1PDE5APDE4D
SCHEMBL914649 0.92 PAICS (0.35) PAICSDGAT2LPAR1CTSAPDE5A
Hydrochloric Acid SCHEMBL913550 0.92 PAICS (0.35) PAICSLPAR1PDE5APDE4DPDE7A
Hydrochloric Acid SCHEMBL912179 0.92 PAICS (0.35) PAICSDGAT2LPAR1CTSAPDE5A
SCHEMBL913906 0.89 PAICS (0.35) PAICSLPAR1CTSAPDE5APDE4D
SCHEMBL2491076 0.87 LPAR1 (0.39) PAICSLPAR1PDE5APDE4DPDE7A
SCHEMBL2486974 0.86 PAICS (0.37) PAICSLPAR1CTSAPDE5APDE4D
Hydrochloric Acid SCHEMBL544756 0.86 LPAR1 (0.38) PAICSLPAR1PDE5APDE4DPDE7A

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 7 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 claimed
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 claimed
EP-2238110-B1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI SA (FR) 2011-10-26 EP claimed
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 claimed
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-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 PAICS 146/4885DGAT2 3707/4885LPAR1 344/4885
US-20130252974-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 PAICS 146/4885DGAT2 3707/4885LPAR1 344/4885

“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.