SCHEMBL2498039

SCHEMBL2498039

COCNC(=O)c1cn(-c2cccc(-c3ccnc(F)c3)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.45
MLLT3 P42568 1/20 0.39
MLLT1 Q03111 1/20 0.39
ROCK2 O75116 8/20 0.38
ROCK1 Q13464 6/20 0.38
PRKACA P17612 3/20 0.38
PRKG1 Q13976 3/20 0.38
PRKACG P22612 2/20 0.38
PRKACB P22694 2/20 0.38
AKT1 P31749 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP3A4 P08684 2/20 0.37
NOTUM Q6P988 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSA P10619 1/20 0.34
DHFR P00374 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL2500100 0.87 USP30 (0.46) USP30MLLT3MLLT1CYP3A4NOTUM
SCHEMBL2494698 0.86 USP30 (0.42) USP30MLLT3MLLT1NOTUMMEN1
SCHEMBL2503104 0.84 GSK3B (0.42) USP30MLLT3MLLT1
SCHEMBL2495968 0.82 USP30 (0.43) USP30MLLT3MLLT1CTSA
SCHEMBL2497595 0.82 USP30 (0.43) USP30MLLT3MLLT1CTSA
SCHEMBL2498107 0.81 USP30 (0.42) USP30MLLT3MLLT1CTSA
SCHEMBL1878814 0.81 KDM4E (0.43) MLLT3MLLT1CTSADHFR
SCHEMBL1880213 0.81 NOTUM (0.56) NOTUMMEN1KMT2A
SCHEMBL2495895 0.80 USP30 (0.42) USP30MLLT3MLLT1NOTUMMEN1
SCHEMBL2493404 0.80 SCN9A (0.44) USP30MLLT3MLLT1CYP3A4NOTUM

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.