SCHEMBL2493380

SCHEMBL2493380

Cc1cnc(C(=O)c2cn(-c3cccc(-c4c(F)ccnc4F)c3)cn2)s1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.35
SCN9A Q15858 3/20 0.34
MLLT3 P42568 1/20 0.33
MLLT1 Q03111 1/20 0.33
NOTUM Q6P988 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
MAP3K5 Q99683 2/20 0.31
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
LYN P07948 1/20 0.31
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31
PDGFRA P16234 1/20 0.31
FLT3 P36888 1/20 0.31
DDR2 Q16832 1/20 0.31

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
SCHEMBL2493492 0.87 CTSA (0.36) CTSA
SCHEMBL2500234 0.87 CTSA (0.51) CTSASCN9ASCN10A
SCHEMBL2496608 0.85 CTSA (0.49) CTSA
SCHEMBL2493286 0.84 MGLL (0.34) CTSASCN9AMLLT3MLLT1SCN10A
SCHEMBL2495838 0.84 SCN9A (0.35) SCN9AMLLT3MLLT1NOTUMKDM4E
SCHEMBL2493245 0.83 MLLT3 (0.36) SCN9AMLLT3MLLT1NOTUMKDM4E
SCHEMBL2497603 0.82 SCN9A (0.34) SCN9AMLLT3MLLT1NOTUMKDM4E
SCHEMBL1886019 0.82 KDM4E (0.41) MLLT3MLLT1KDM4E
SCHEMBL2497581 0.82 HSD17B14 (0.39) SCN9AMLLT3MLLT1KDM4ESCN10A
SCHEMBL2497610 0.82 SCN9A (0.35) SCN9AMLLT3MLLT1SMN1; SMN2SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 US claimed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US claimed
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP claimed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 WO 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 CTSA 3719/4885SCN9A 1508/4885MLLT3 3352/4885

“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.