SCHEMBL544545

SCHEMBL544545

COC(=O)c1nc(Cl)c(-c2ccccc2C)nc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ ATR Q13535 1/20 0.41
▸ SLC9A5 Q14940 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PKM P14618 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ADORA2A P29274 1/20 0.38

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
SCHEMBL4044006 0.87 CTSA (0.46) CTSASMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL20560347 0.85 NPC1 (0.44) CTSASMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL30170628 0.85 NPC1 (0.44) CTSASMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL5425548 0.83 SMN1; SMN2 (0.52) CTSASMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL27751931 0.83 SMN1; SMN2 (0.39) CTSASMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL22552121 0.78 GRM5 (0.48) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL29988155 0.78 GRM5 (0.48) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2470030 0.77 PRKDC (0.44) SMN1; SMN2ALDH1A1KDM4EHSD17B10IKBKB
SCHEMBL22579103 0.76 ADORA2A (0.45) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL28804334 0.76 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD

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 CTSA 379/4885SMN1; SMN2 2717/4885ALDH1A1 3633/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 CTSA 379/4885SMN1; SMN2 2717/4885ALDH1A1 3633/4885

“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.

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