SCHEMBL3098035

SCHEMBL3098035

C#Cc1cc(C)nc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.41
TSHR P16473 2/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR35 Q9HC97 2/20 0.38
DAO P14920 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
RBP4 P02753 2/20 0.35
GBA1 P04062 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ACMSD Q8TDX5 1/20 0.33
KMO O15229 1/20 0.33
RAB9A P51151 2/20 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
SCHEMBL3090482 0.81 ALOX15 (0.41) ALOX15TSHRHIF1ASMN1; SMN2ALDH1A1
SCHEMBL31254277 0.81 KDM4E (0.42) ALDH1A1MAPK1LMNARBP4GBA1
SCHEMBL3098804 0.77 ALOX15 (0.37) ALOX15TSHRHIF1ASMN1; SMN2ALDH1A1
SCHEMBL3720436 0.77 CYP1A1 (0.39) LMNAGBA1KDM4E
SCHEMBL668136 0.74 ALOX15 (0.48) ALOX15TSHRHIF1ASMN1; SMN2ALDH1A1
SCHEMBL31254232 0.73 LMNA (0.36) ALOX15TSHRHIF1ASMN1; SMN2ALDH1A1
SCHEMBL3686639 0.72 ALOX15 (0.71) ALOX15TSHRHIF1ASMN1; SMN2ALDH1A1
SCHEMBL4772052 0.72 ALOX15 (0.46) ALOX15TSHRHIF1ASMN1; SMN2ALDH1A1
SCHEMBL9507755 0.72 ALOX15 (0.46) ALOX15TSHRHIF1ASMN1; SMN2ALDH1A1
SCHEMBL1424923 0.71 ALDH1A1 (0.47) ALOX15TSHRHIF1ASMN1; SMN2ALDH1A1

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.