SCHEMBL1844265

SCHEMBL1844265

Fc1ccc(CNc2ncc[nH]2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
RPS6KB1 P23443 2/20 0.41
SHMT2 P34897 1/20 0.40
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
NTRK1 P04629 1/20 0.39
PTGES O14684 5/20 0.39
QPCT Q16769 1/20 0.38
GRM4 Q14833 1/20 0.38
AURKA O14965 1/20 0.38
CLPP Q16740 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TGFBR1 P36897 1/20 0.37

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
SCHEMBL15450376 0.87 MMP13 (0.45) PIM1SHMT2DYRK1ACLK4NTRK1
SCHEMBL15450374 0.87 MMP13 (0.45) PIM1SHMT2DYRK1ACLK4NTRK1
SCHEMBL13158644 0.84 PTGES (0.46) RPS6KB1PTGESVNN1
SCHEMBL3121218 0.84 PTGES (0.46) RPS6KB1PTGESVNN1
SCHEMBL27815629 0.82 LMNA (0.51) SHMT2MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1845674 0.80 DYRK1A (0.50) PIM1RPS6KB1DYRK1ACLK4NTRK1
SCHEMBL1845716 0.79 POLB (0.51) MEN1MAPTKMT2ACYP1A2CYP2C9
SCHEMBL16216317 0.78 PTGES (0.47) RPS6KB1MAPTPTGESCYP1A2CYP2D6
SCHEMBL1845617 0.78 PTGES (0.46) PIM1RPS6KB1DYRK1ACLK4PTGES
SCHEMBL1845507 0.77 ROCK1 (0.45) CLPPCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2101762-B1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) HOFFMANN LA ROCHE (CH) 2011-05-18 EP disclosed
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2101762-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. Hoffmann-Roche AG (CH) 2009-09-23 EP disclosed
WO-2008071574-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 WO disclosed
WO-2008071574-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 WO disclosed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US disclosed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US disclosed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 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-20080146634-A1 2-IMIDAZOLES ABL1, H1-2, IPO4 PIM1 1382/4885RPS6KB1 4309/4885SHMT2 2872/4885

“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.