SCHEMBL544240

SCHEMBL544240

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ATM Q13315 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A9 P48067 2/20 0.38
KDR P35968 4/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IGF1R P08069 1/20 0.36
PAICS P22234 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
PDGFRB P09619 1/20 0.36
CTSA P10619 1/20 0.36
MCHR1 Q99705 1/20 0.36
CHEK2 O96017 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL4035530 0.91 KDM4E (0.45) KDM4EATMMAPTMAPK1SLC6A9
SCHEMBL544227 0.84 NOTUM (0.46) KDM4EMAPTKDRL3MBTL1PDGFRB
Hydrochloric Acid SCHEMBL544379 0.83 CTSA (0.43) CTSA
SCHEMBL544217 0.80 KDM4E (0.41) KDM4EATMMAPTMAPK1SLC6A9
SCHEMBL544932 0.76 KDR (0.41) KDM4EMAPTKDRTDP1MCHR1
SCHEMBL4037061 0.76 PTGER1 (0.50)
SCHEMBL912838 0.75 KDM4E (0.45) KDM4EATMMAPTMAPK1SLC6A9
SCHEMBL544621 0.75 SLC6A9 (0.42) KDM4EATMMAPTMAPK1SLC6A9
Hydrochloric Acid SCHEMBL27751913 0.73 CTSA (0.37) PAICSROCK2ROCK1CTSA
Bicarbonate SCHEMBL16493743 0.72 CNR1 (0.52) ATM

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 KDM4E 3338/4885ATM 4628/4885MAPT 3323/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 KDM4E 3338/4885ATM 4628/4885MAPT 3323/4885

“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.