SCHEMBL914701

SCHEMBL914701

COC(=O)[C@]1(NC(=O)c2ccc(-c3ncc(C)cc3Cl)c(-c3ccc(Cl)c(OCCCN(C)C)c3)n2)CC[C@H](O)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAICS P22234 4/20 0.34
CTSA P10619 5/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
HSP90AB1 P08238 1/20 0.31
ATM Q13315 4/20 0.31
KDM4E B2RXH2 2/20 0.31
KDR P35968 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA1D P25100 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL914700 1.00 PAICS (0.34) PAICSCTSAROCK2ROCK1UTS2R
SCHEMBL2492517 0.94 PAICS (0.36) PAICSCTSAROCK2ROCK1HSP90AB1
SCHEMBL2492514 0.94 PAICS (0.36) PAICSCTSAROCK2ROCK1HSP90AB1
SCHEMBL913398 0.94 PAICS (0.34) PAICSROCK2ROCK1UTS2RHSP90AB1
SCHEMBL913397 0.94 PAICS (0.34) PAICSROCK2ROCK1UTS2RHSP90AB1
SCHEMBL914649 0.92 PAICS (0.35) PAICSCTSAROCK2ROCK1HSP90AB1
Hydrochloric Acid SCHEMBL912179 0.92 PAICS (0.35) PAICSCTSAROCK2ROCK1HSP90AB1
SCHEMBL914405 0.90 CTSA (0.35) PAICSCTSAUTS2RHSP90AB1ATM
SCHEMBL914407 0.90 CTSA (0.35) PAICSCTSAUTS2RHSP90AB1ATM
SCHEMBL914403 0.90 CTSA (0.35) PAICSCTSAUTS2RHSP90AB1ATM

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 8 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-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 PAICS 146/4885CTSA 421/4885ROCK2 2218/4885
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 146/4885CTSA 421/4885ROCK2 2218/4885

“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.