SCHEMBL544403

SCHEMBL544403

COC(=O)c1ccc(-c2ccccc2C)c(-c2ccc(C(F)(F)F)c(OCCCN(C)C)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.40
CTSA P10619 1/20 0.37
S1PR1 P21453 5/20 0.37
SYK P43405 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
PDK2 Q15119 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 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
SCHEMBL4039218 0.91 SLC6A9 (0.43) SLC6A9CTSAS1PR1SYKKDM4E
SCHEMBL27869502 0.89 S1PR1 (0.36) S1PR1SYKMRGPRX4KDM4ECTSS
SCHEMBL544217 0.87 KDM4E (0.41) SLC6A9CTSAMRGPRX4KDM4EMEN1
SCHEMBL544311 0.85 MRGPRX4 (0.42) CTSAS1PR1SYKMRGPRX4
Hydrochloric Acid SCHEMBL543829 0.81 NTSR1 (0.39) SLC6A9CTSAS1PR1SYKKDM4E
Hydrochloric Acid SCHEMBL16493636 0.80 ATM (0.34) SLC6A9CTSAS1PR1SYKKDM4E
SCHEMBL544621 0.80 SLC6A9 (0.42) SLC6A9KDM4EATM
SCHEMBL912838 0.78 KDM4E (0.45) SLC6A9KDM4EMEN1KMT2AATM
SCHEMBL4043788 0.77 MRGPRX4 (0.43) CTSAS1PR1SYKMRGPRX4
SCHEMBL544260 0.76 KDM4E (0.42) CTSAKDM4EMEN1KMT2AATM

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 SLC6A9 3195/4885CTSA 379/4885S1PR1 465/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 SLC6A9 3195/4885CTSA 379/4885S1PR1 465/4885

“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.