SCHEMBL912835

SCHEMBL912835

COC(=O)c1ccc(-c2ncc(C)cc2Cl)c(-c2ccc(Cl)c(OCc3ccc(OC)cc3)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 3/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CTSA P10619 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 2/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL2488886 0.92 CSNK2A2 (0.39) KDM4EPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL913482 0.92 CNR1 (0.40) NOTUMKDM4EPOLBCYP1A2CYP2C9
SCHEMBL912923 0.85 NOTUM (0.44) NOTUMKDM4EPOLBCYP1A2CYP2C9
SCHEMBL914548 0.85 NOTUM (0.45) NOTUMKDM4EPOLBCYP1A2CYP2C9
SCHEMBL913698 0.84 NOTUM (0.45) NOTUMKDM4EPOLBCYP1A2CYP2C9
SCHEMBL2492027 0.84 CSNK2A2 (0.41) KDM4EPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL544355 0.83 NOTUM (0.40) NOTUMKDM4EPOLBCYP1A2CYP2C9
SCHEMBL544317 0.83 CNR1 (0.49) NOTUMSMN1; SMN2ALDH1A1CTSACNR1
SCHEMBL3668371 0.79 CSNK2A2 (0.45) CSNK2A2CSNK2A1CTSAMRGPRX4
SCHEMBL544265 0.79 NOTUM (0.50) NOTUMKDM4ELMNASMN1; SMN2HPGD

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 NOTUM 2370/4885KDM4E 3689/4885POLB 4464/4885
US-20130252974-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 NOTUM 2370/4885KDM4E 3689/4885POLB 4464/4885

“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.