SCHEMBL2088488

SCHEMBL2088488

NC(=O)c1cc(N)nc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
NNMT P40261 1/20 0.46
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
CYP3A4 P08684 2/20 0.41
PARP1 P09874 6/20 0.40
TSHR P16473 2/20 0.40
IKBKB O14920 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40

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
SCHEMBL23413328 0.84 LMNA (0.42) SMN1; SMN2NNMTMKNK1MKNK2CYP3A4
SCHEMBL6869717 0.79 GABRP (0.56) SMN1; SMN2CYP3A4TSHRGABRPGABRD
SCHEMBL813450 0.76 PARP1 (0.53) SMN1; SMN2CYP3A4PARP1TSHRPOLB
SCHEMBL2550519 0.75 PARP1 (0.55) SMN1; SMN2NNMTCYP3A4PARP1TSHR
SCHEMBL2087730 0.74 FBP1 (0.38) SMN1; SMN2NNMTIKBKBMAPTRECQL
SCHEMBL29526524 0.74 LMNA (0.39) SMN1; SMN2NNMTMKNK1MKNK2CYP3A4
SCHEMBL9506862 0.74 LCK (0.45) SMN1; SMN2NNMTMKNK1MKNK2CYP3A4
SCHEMBL890399 0.72 CYP3A4 (0.44) SMN1; SMN2NNMTCYP3A4PARP1TSHR
SCHEMBL1807992 0.72 KDM4E (0.46) SMN1; SMN2NNMTCYP3A4PARP1TSHR
SCHEMBL1179736 0.72 POLB (0.50) SMN1; SMN2CYP3A4PARP1TSHRIKBKB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163778-B2 Pyridines as FBPase inhibitors for treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
CN-102026978-A Pyridine compounds HOFFMANN LA ROCHE 2011-04-20 CN disclosed
EP-2227452-A2 PYRIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009068468-A2 PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
US-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2009-06-04 US disclosed
CN-1221551-C Aminotriazolopyridiine derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2005-10-05 CN disclosed
EP-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
CN-1486314-A Aminotriazolopyridine derivatives as adenosine receptor ligands - 2004-03-31 CN disclosed
EP-1347974-A1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-01 EP disclosed
US-6506772-B1 Pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are the adenosine receptor. HOFFMANN-LA ROCHE INC. 2003-01-14 US disclosed
WO-2002048145-A1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 WO disclosed
US-4022799-A DYEING, PRINTING OF NATURAL AND SYNTHETIC MATERIALS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-4001253-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3950347-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 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-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES FBP1, PDXK, G6PC1 SMN1; SMN2 3588/4885NNMT 237/4885MKNK1 2624/4885

“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.