SCHEMBL12296241

SCHEMBL12296241

CC(C)c1cc(C(=O)N(C)C)ncn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 5/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 4/20 0.35
LMNA P02545 2/20 0.35
CYP2C9 P11712 2/20 0.35
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MGLL Q99685 1/20 0.32
USP2 O75604 2/20 0.31
PDE9A O76083 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
HIF1A Q16665 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PI4KA P42356 1/20 0.30
PIK3CG P48736 1/20 0.30
PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL19919584 0.79 KMO (0.46) ALDH1A1GAA
SCHEMBL11960339 0.78 ALDH1A1 (0.37) LMNAALDH1A1GAAMGLLPIK3CA
SCHEMBL14872318 0.76 CLK4 (0.35) CLK4CYP1A2CYP3A4LMNACYP2C9
SCHEMBL15858735 0.75 MAPK1 (0.40) CYP1A2CYP3A4LMNAALDH1A1MAPK1
SCHEMBL11960328 0.75 BRD4 (0.39) CYP1A2CYP3A4LMNACYP2C9ALDH1A1
SCHEMBL22608932 0.74 MALT1 (0.38) CLK4CYP1A2CYP3A4LMNACYP2C9
SCHEMBL799394 0.74 HTR2A (0.35) ALDH1A1MALT1
SCHEMBL20697048 0.73 GCK (0.36) LMNAALDH1A1PDE9APIK3CDPIK3CA
SCHEMBL27342045 0.72 KMO (0.33) CLK4CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL27342052 0.72 CYP1A2 (0.34) CLK4CYP1A2CYP3A4PDE9ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 CLK4 249/4885CYP1A2 831/4885CYP3A4 858/4885

“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.