SCHEMBL913384

SCHEMBL913384

COC(=O)C1(NC(=O)c2ccc(-c3cc(O)ccc3C)c(-c3ccc(Cl)c(OCCCN(C)C)c3)n2)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.34
PAICS P22234 3/20 0.33
CHEK1 O14757 1/20 0.33
PDE5A O76074 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
LPAR1 Q92633 2/20 0.33
HTR1A P08908 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PDK1 Q15118 1/20 0.31
HSP90AB1 P08238 1/20 0.31
BDKRB2 P30411 1/20 0.31
YES1 P07947 1/20 0.31
PDGFRB P09619 1/20 0.31
SRC P12931 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
ATM Q13315 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
SCHEMBL913453 0.95 KDR (0.34) KDRPAICSCHEK1PDE5APDE4D
SCHEMBL2488762 0.94 KDR (0.36) KDRPAICSCHEK1PDE5APDE4D
Hydrochloric Acid SCHEMBL545108 0.94 KDR (0.36) KDRPAICSCHEK1PDE5APDE4D
SCHEMBL913389 0.91 DGAT2 (0.35) PAICSPDE5APDE4DPDE7ALPAR1
SCHEMBL914760 0.91 PAICS (0.33) KDRPAICSPDE5APDE4DPDE7A
SCHEMBL913456 0.91 PAICS (0.34) KDRPAICSPDE5APDE4DPDE7A
Hydrochloric Acid SCHEMBL913465 0.91 DGAT2 (0.35) PAICSPDE5APDE4DPDE7ALPAR1
SCHEMBL912151 0.90 PAICS (0.32) PAICSPDE5APDE4DPDE7ALPAR1
SCHEMBL913461 0.90 PAICS (0.33) KDRPAICSPDE5APDE4DPDE7A
SCHEMBL912796 0.90 SMYD2 (0.34) PAICSPDE5APDE4DPDE7ALPAR1

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-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 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 KDR 450/4885PAICS 146/4885CHEK1 4691/4885
US-20130252974-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 KDR 450/4885PAICS 146/4885CHEK1 4691/4885

“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.