SCHEMBL2497501

SCHEMBL2497501

Cn1ccnc1C(=O)c1cn(-c2cccc(-c3c(F)ccnc3F)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
MLLT3 P42568 1/20 0.35
MLLT1 Q03111 1/20 0.35
GRM4 Q14833 1/20 0.35
TSHR P16473 2/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 4/20 0.33
SCN9A Q15858 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
MET P08581 1/20 0.33
KDR P35968 1/20 0.33
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
PRNP P04156 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL2499308 0.87 SCN9A (0.41) SMN1; SMN2GRM4SCN9ASCN10AMAPT
SCHEMBL2501210 0.86 SMN1; SMN2 (0.38) SMN1; SMN2MLLT3MLLT1
SCHEMBL2493245 0.83 MLLT3 (0.36) MLLT3MLLT1SCN9ASCN10A
SCHEMBL2498200 0.83 RPS6KA3 (0.40) SMN1; SMN2MLLT3MLLT1TSHRRAB9A
SCHEMBL1886019 0.82 KDM4E (0.41) MLLT3MLLT1
SCHEMBL2495838 0.82 SCN9A (0.35) SMN1; SMN2MLLT3MLLT1SCN9ASCN10A
SCHEMBL2497581 0.82 HSD17B14 (0.39) MLLT3MLLT1GRM4SCN9ASCN10A
SCHEMBL2497610 0.82 SCN9A (0.35) SMN1; SMN2MLLT3MLLT1RAB9ASCN9A
SCHEMBL2495873 0.81 CTSA (0.40)
SCHEMBL2495463 0.81 MLLT3 (0.37) MLLT3MLLT1SCN9ASCN10A

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 SMN1; SMN2 2976/4885MLLT3 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.