SCHEMBL2501210

SCHEMBL2501210

Cn1ccnc1C(=O)c1cn(-c2cccc(-c3cccnc3F)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
BACE1 P56817 16/20 0.37
BACE2 Q9Y5Z0 15/20 0.37
CTSD P07339 14/20 0.37
MLLT3 P42568 1/20 0.35
MLLT1 Q03111 1/20 0.35

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
SCHEMBL2493993 0.88 SMN1; SMN2 (0.36) SMN1; SMN2MLLT3MLLT1
SCHEMBL2497501 0.86 SMN1; SMN2 (0.38) SMN1; SMN2MLLT3MLLT1
SCHEMBL2501420 0.85 SCN9A (0.44) SMN1; SMN2MLLT3MLLT1
SCHEMBL2495873 0.85 CTSA (0.40)
SCHEMBL2498200 0.85 RPS6KA3 (0.40) SMN1; SMN2MLLT3MLLT1
SCHEMBL2501417 0.84 BACE1 (0.37) BACE1BACE2CTSDMLLT3MLLT1
SCHEMBL2498293 0.83 FFAR1 (0.43) MLLT3MLLT1
SCHEMBL2502844 0.83 HSD17B14 (0.38) BACE1BACE2CTSDMLLT3MLLT1
SCHEMBL2497789 0.83 SCN9A (0.51)
SCHEMBL2498897 0.83 FFAR1 (0.43)

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 2976/4885BACE1 1809/4885BACE2 1934/4885

“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.