SCHEMBL544227

SCHEMBL544227

COC(=O)c1cnc(-c2ccccc2C)c(-c2ccc(Cl)c(OCc3ccccc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
PTGER1 P34995 6/20 0.45
CNR1 P21554 1/20 0.44
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
THRB P10828 1/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4037061 0.91 PTGER1 (0.50) PTGER1MGAMGAASIMGAM2
SCHEMBL544240 0.84 KDM4E (0.41) MAPTL3MBTL1KDM4EPDGFRBKDR
SCHEMBL544276 0.84 NOTUM (0.50) NOTUMPTGER1CNR1MGAMGAA
SCHEMBL544225 0.80 NOTUM (0.46) NOTUMPTGER1CNR1MGAMGAA
SCHEMBL544584 0.79 NOTUM (0.51) NOTUMPTGER1CNR1MGAMGAA
SCHEMBL4038980 0.79 PTGER1 (0.47) NOTUMPTGER1CNR1MGAMGAA
SCHEMBL543939 0.78 NOTUM (0.44) NOTUMPTGER1CNR1MGAMGAA
SCHEMBL4035530 0.77 KDM4E (0.45) SMN1; SMN2THRBLMNAMAPTALDH1A1
SCHEMBL543934 0.77 NOTUM (0.47) NOTUMPTGER1CNR1MGAMGAA
SCHEMBL544895 0.76 PTGER1 (0.47) NOTUMPTGER1SMN1; SMN2RAB9ALMNA

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-8552201-B2 5, 6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI (FR) 2013-10-08 US disclosed
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS 2012-05-03 US disclosed
US-8110579-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI-AVENTIS (FR) 2012-02-07 US disclosed
US-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI AVENTIS 2009-12-24 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-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 NOTUM 3247/4885PTGER1 483/4885CNR1 51/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 NOTUM 3247/4885PTGER1 483/4885CNR1 51/4885

“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.