SCHEMBL913397

SCHEMBL913397

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAICS P22234 3/20 0.34
CNR1 P21554 5/20 0.33
HTR7 P34969 1/20 0.32
ROCK2 O75116 3/20 0.32
ROCK1 Q13464 1/20 0.32
UTS2R Q9UKP6 1/20 0.31
HSP90AB1 P08238 1/20 0.31
IP6K1 Q92551 1/20 0.31
ATM Q13315 2/20 0.31
KDR P35968 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
SCHEMBL913398 1.00 PAICS (0.34) PAICSCNR1HTR7ROCK2ROCK1
SCHEMBL2490109 0.94 PAICS (0.37) PAICSCNR1HTR7ROCK2ROCK1
SCHEMBL2486450 0.94 PAICS (0.37) PAICSCNR1HTR7ROCK2ROCK1
SCHEMBL914701 0.94 PAICS (0.34) PAICSHTR7ROCK2ROCK1UTS2R
SCHEMBL914700 0.94 PAICS (0.34) PAICSHTR7ROCK2ROCK1UTS2R
SCHEMBL914421 0.92 PAICS (0.35) PAICSCNR1HSP90AB1
Hydrochloric Acid SCHEMBL913550 0.92 PAICS (0.35) PAICSCNR1HSP90AB1
SCHEMBL2492514 0.88 PAICS (0.36) PAICSHTR7ROCK2ROCK1HSP90AB1
SCHEMBL2492517 0.88 PAICS (0.36) PAICSHTR7ROCK2ROCK1HSP90AB1
SCHEMBL914405 0.88 CTSA (0.35) PAICSHTR7UTS2RHSP90AB1ATM

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 146/4885CNR1 65/4885HTR7 362/4885
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 146/4885CNR1 65/4885HTR7 362/4885

“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.