SCHEMBL3087337

SCHEMBL3087337

CCc1cc(C#N)cc(C(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
PIN1 Q13526 2/20 0.35
GPR35 Q9HC97 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
F11 P03951 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33

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
SCHEMBL3094691 0.85 ALOX15 (0.38) HCAR2ALOX15TSHRHIF1APIN1
SCHEMBL7215604 0.80 CYP2A6 (0.43)
SCHEMBL3090482 0.77 ALOX15 (0.41) HCAR2ALOX15TSHRHIF1APIN1
SCHEMBL10130004 0.75 NOS3 (0.50) HCAR2ALOX15TSHRHIF1AGPR35
SCHEMBL1421848 0.74 GPR35 (0.41) HCAR2ALOX15TSHRHIF1AGPR35
SCHEMBL3094908 0.74 KDM4E (0.43) HCAR2ALOX15TSHRHIF1AGPR35
SCHEMBL3087311 0.73 HCAR3 (0.41) HCAR2ALOX15TSHRHIF1APIN1
SCHEMBL1425076 0.73 GRM5 (0.39) TSHR
SCHEMBL7906024 0.72 SMN1; SMN2 (0.46) LMNA
SCHEMBL3082201 0.71 CYP1A2 (0.44) TSHRGPR35TDP1

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
WO-2010100050-A1 PYRIDINE-2-YL-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO claimed
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 US claimed
WO-2010100050-A1 PYRIDINE-2-YL-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 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 (1 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-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES GRM2, GRM1, GRM3 HCAR2 22/4885ALOX15 3707/4885TSHR 244/4885

“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.