SCHEMBL1877848

SCHEMBL1877848

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.54
GABRA2 P47869 5/20 0.42
GABRB2 P47870 5/20 0.42
ADORA2A P29274 1/20 0.40
TP53 P04637 1/20 0.38
GRM5 P41594 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN9A Q15858 1/20 0.37
JMJD6 Q6NYC1 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL1881119 0.86 NOTUM (0.53) NOTUMGABRA2GABRB2TP53MEN1
SCHEMBL1883712 0.86 NOTUM (0.54) NOTUMGABRA2GABRB2GRM5CYP1A2
SCHEMBL1880213 0.85 NOTUM (0.56) NOTUMGABRA2GABRB2ADORA2ATP53
SCHEMBL1886019 0.84 KDM4E (0.41)
SCHEMBL2495463 0.83 MLLT3 (0.37) NOTUMGRM5SCN9A
SCHEMBL1878934 0.82 NOTUM (0.63) NOTUMGABRA2GABRB2CYP1A2MEN1
SCHEMBL2494711 0.82 TRPM8 (0.38) NOTUMMEN1KMT2ASCN9ATRPM8
SCHEMBL2495838 0.82 SCN9A (0.35) NOTUMSCN9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1878932 0.82 NOTUM (0.62) NOTUMGABRA2GABRB2CYP1A2KMT2A
SCHEMBL2494698 0.81 USP30 (0.42) NOTUMTP53CYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939556-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-05-10 US claimed
US-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2009-08-20 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-7939556-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-05-10 US disclosed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US disclosed
US-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2009-08-20 US disclosed
EP-1940822-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A RECEPTOR COMPLEX NeuroSearch A/S (DK) 2008-07-09 EP disclosed
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP disclosed
WO-2007042545-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2007-04-19 WO 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 (2 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-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX GABRB1, GABRB2, GABRB3 NOTUM 4586/4885GABRA2 4/4885GABRB2 2/4885
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases GABBR1, GABRB2, GABRB3 NOTUM 4467/4885GABRA2 6/4885GABRB2 2/4885

“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.