SCHEMBL913467

SCHEMBL913467

COc1ccc(COc2cc(B(O)O)ccc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.64
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NLRP3 Q96P20 1/20 0.42
APP P05067 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MAOB P27338 1/20 0.41
ABCB1 P08183 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL1516704 0.86 ENPP2 (0.59) ENPP2CA1CA2CYP1A2CYP2C9
SCHEMBL544428 0.82 LIPE (0.53) ENPP2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2560524 0.80 ENPP2 (0.52) ENPP2CA2KDM4ECYP2C9CYP2C19
SCHEMBL2556022 0.80 MRGPRX4 (0.51) ENPP2ALDH1A1LMNANPC1RAB9A
SCHEMBL2557358 0.79 ENPP2 (0.68) ENPP2CA1CA2ALDH1A1POLB
SCHEMBL1982099 0.79 ENPP2 (0.68) ENPP2CA1CA2ALDH1A1POLB
SCHEMBL14777550 0.78 NPC1 (0.51) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL190649 0.78 MAOB (0.51) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL30313237 0.78 APP (0.61) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6351935 0.78 TNFRSF1A (0.52) ENPP2CA1CA2POLBNPC1

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 4 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 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 ENPP2 92/4885CA1 2569/4885CA2 944/4885
US-20130252974-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 ENPP2 92/4885CA1 2569/4885CA2 944/4885

“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.