SCHEMBL913587

SCHEMBL913587

CCOc1ccc(Cl)c(-c2ncc(C(=O)N[C@@H](C(C)C(=O)O)C(C)(C)C)nc2-c2ccc(Cl)c(OCCCN(C)C)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
PAICS P22234 5/20 0.36
NAMPT P43490 1/20 0.34
CNR1 P21554 5/20 0.34
HSP90AB1 P08238 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
ROCK2 O75116 1/20 0.33
ACACB O00763 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKD1 Q15139 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL2490034 0.88 FFAR1 (0.39) FFAR1FFAR4PAICSNAMPTHSP90AB1
Hydrochloric Acid SCHEMBL544253 0.88 FFAR1 (0.39) FFAR1FFAR4PAICSNAMPTHSP90AB1
SCHEMBL913586 0.86 FFAR1 (0.39) FFAR1FFAR4PAICSNAMPTHSP90AB1
SCHEMBL913584 0.86 FFAR1 (0.35) FFAR1FFAR4PAICSNAMPTCNR1
SCHEMBL913872 0.82 SLC6A9 (0.39) PAICS
Hydrochloric Acid SCHEMBL912160 0.81 SLC6A9 (0.38) PAICS
SCHEMBL913820 0.81 CTSA (0.36) PAICS
SCHEMBL2491164 0.80 FFAR1 (0.38) FFAR1FFAR4PAICSNAMPTCNR1
Hydrochloric Acid SCHEMBL544578 0.80 FFAR1 (0.38) FFAR1FFAR4PAICSNAMPTCNR1
Bicarbonate SCHEMBL16494026 0.80 CNR1 (0.48) FFAR1FFAR4PAICSCNR1ATM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 FFAR1 271/4885FFAR4 302/4885PAICS 146/4885
US-20130252974-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 FFAR1 271/4885FFAR4 302/4885PAICS 146/4885

“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.