SCHEMBL3090482

SCHEMBL3090482

Cc1cc(C#N)cc(C(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
LRRK2 Q5S007 1/20 0.39
PIN1 Q13526 2/20 0.38
F11 P03951 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
GPR35 Q9HC97 3/20 0.38
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
GRM5 P41594 1/20 0.36
DAO P14920 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL3098035 0.81 ALOX15 (0.41) ALOX15TSHRHIF1AALDH1A1SMN1; SMN2
SCHEMBL4772289 0.80 MCL1 (0.44)
SCHEMBL4775974 0.80 CYP11B2 (0.42) PIN1F11
SCHEMBL3090392 0.78 KDM4E (0.50) TSHRALDH1A1SMN1; SMN2MAPK1GPR35
SCHEMBL3087337 0.77 HCAR2 (0.38) ALOX15TSHRHIF1APIN1F11
SCHEMBL3087311 0.77 HCAR3 (0.41) ALOX15TSHRHIF1APIN1F11
SCHEMBL3098804 0.77 ALOX15 (0.37) ALOX15TSHRHIF1AALDH1A1SMN1; SMN2
SCHEMBL1179216 0.77 KDM4E (0.45) TSHRALDH1A1KDM4EGRM5
SCHEMBL4775928 0.77 F11 (0.54) PIN1F11SMN1; SMN2GRM5NPC1
SCHEMBL4775929 0.76 MCL1 (0.38) ALOX15TSHRHIF1AALDH1A1SMN1; SMN2

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 ALOX15 3707/4885TSHR 244/4885HIF1A 2454/4885

“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.