SCHEMBL2494698

SCHEMBL2494698

COCNC(=O)c1cn(-c2cccc(-c3c(F)ccnc3F)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.42
MLLT3 P42568 1/20 0.38
MLLT1 Q03111 1/20 0.38
SCN9A Q15858 2/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
NOTUM Q6P988 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK13 O15264 1/20 0.33
GAA P10253 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
MAP3K5 Q99683 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2495968 0.88 USP30 (0.43) USP30MLLT3MLLT1SCN9ASCN10A
SCHEMBL2503104 0.86 GSK3B (0.42) USP30MLLT3MLLT1SCN9A
SCHEMBL2498039 0.86 USP30 (0.45) USP30MLLT3MLLT1NOTUMMEN1
SCHEMBL2500100 0.84 USP30 (0.46) USP30MLLT3MLLT1NOTUMMEN1
SCHEMBL2497595 0.82 USP30 (0.43) USP30MLLT3MLLT1SCN9ACTSA
SCHEMBL1886019 0.81 KDM4E (0.41) MLLT3MLLT1
SCHEMBL2494711 0.81 TRPM8 (0.38) USP30MLLT3MLLT1SCN9ASCN10A
SCHEMBL1877848 0.81 NOTUM (0.54) SCN9ANOTUMMEN1KMT2ATP53
SCHEMBL2495463 0.80 MLLT3 (0.37) MLLT3MLLT1SCN9ASCN10ANOTUM
SCHEMBL2498107 0.79 USP30 (0.42) USP30MLLT3MLLT1SCN9ASCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US claimed
US-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 US disclosed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US disclosed
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP disclosed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 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-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases GABBR1, GABRB2, GABRB3 USP30 1636/4885MLLT3 3352/4885MLLT1 2892/4885

“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.