SCHEMBL545109

SCHEMBL545109

COC(=O)c1ccc(-c2ccccc2C)c(-c2ccc(Cl)c(O)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 2/20 0.40
EGFR P00533 1/20 0.40
EIF4E P06730 1/20 0.39
NOTUM Q6P988 1/20 0.39
KCNH2 Q12809 2/20 0.38
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CTSA P10619 5/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR1 P21554 1/20 0.36
MCL1 Q07820 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 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
SCHEMBL4040384 0.87 EIF4E (0.46) HSD17B14EIF4EKCNH2CNR1MCL1
SCHEMBL27751941 0.85 EGFR (0.37) HSD17B14EGFRNOTUMSLC6A4SLC6A3
SCHEMBL544584 0.82 NOTUM (0.51) EGFRNOTUMCTSAKDM4EMAPT
SCHEMBL15304081 0.80 ALOX5 (0.43) EIF4EALDH1A1MAPTGAA
SCHEMBL544217 0.80 KDM4E (0.41) NOTUMCTSAKDM4EALDH1A1MAPT
SCHEMBL912653 0.79 MRGPRX4 (0.38) HSD17B14EGFRNOTUMCNR1
SCHEMBL912923 0.79 NOTUM (0.44) NOTUMCTSALMNAKDM4EALDH1A1
SCHEMBL544339 0.79 FFAR1 (0.44) EIF4ELMNAKDM4EMAPTHSD17B10
SCHEMBL544699 0.74 NOTUM (0.49) NOTUMCTSAKDM4EMAPTMAPK1
SCHEMBL543779 0.74 ALDH1A1 (0.43) EIF4EALDH1A1MAPTGAAHTT

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 HSD17B14 4333/4885EGFR 638/4885EIF4E 4590/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 HSD17B14 4333/4885EGFR 638/4885EIF4E 4590/4885

“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.