SCHEMBL544971

SCHEMBL544971

COC(=O)c1ccc(-c2ncccc2Cl)c(-c2ccc(Cl)c(OCCCN(C)C)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAICS P22234 3/20 0.38
ATM Q13315 2/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KDR P35968 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CTSA P10619 3/20 0.35
SUV39H2 Q9H5I1 2/20 0.35
CNR1 P21554 1/20 0.35
BRAF P15056 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4038154 0.91 PAICS (0.39) PAICSATMKDM4EMAPTMAPK1
SCHEMBL544621 0.89 SLC6A9 (0.42) PAICSATMKDM4EMAPTMAPK1
SCHEMBL543860 0.89 ACVR1B (0.40) PAICSATMKDM4EMAPTMAPK1
SCHEMBL544918 0.88 PAICS (0.40) PAICSATMKDM4EMAPTMAPK1
SCHEMBL544217 0.86 KDM4E (0.41) PAICSATMKDM4EMAPTMAPK1
SCHEMBL544260 0.85 KDM4E (0.42) PAICSATMKDM4EMAPTMAPK1
SCHEMBL4037740 0.84 CNR1 (0.47) ATMCNR1
SCHEMBL544265 0.84 NOTUM (0.50) KDM4EMAPTCTSACNR1ALDH1A1
Bicarbonate SCHEMBL16493717 0.83 CNR1 (0.45) ATMCNR1
Hydrochloric Acid SCHEMBL543863 0.83 LPAR1 (0.38) PAICSKDRCTSA

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 PAICS 256/4885ATM 4628/4885KDM4E 3338/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 PAICS 256/4885ATM 4628/4885KDM4E 3338/4885

“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.