SCHEMBL103712

SCHEMBL103712

COc1nccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc12

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 19/20 0.67
GABRG2 P18507 19/20 0.67
GABRB3 P28472 19/20 0.67
GABRA3 P34903 19/20 0.67
GABRA5 P31644 15/20 0.67
GABRA2 P47869 4/20 0.55
FLT3 P36888 1/20 0.43

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
SCHEMBL104133 0.89 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL104346 0.89 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL4003734 0.80 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5775366 0.80 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6218006 0.77 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL12927929 0.77 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL3999138 0.77 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL3997917 0.77 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658839 0.77 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6218199 0.75 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA3GABRA5

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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-7485640-B2 Imidazopyrazinones as GABA-A receptor anxiolytics MERCK SHARP & DOHME LIMITED (GB) 2009-02-03 US disclosed
US-20060014744-A1 Midazopyrazinones and imidazotriazinones derivates as gaba-a receptor anxiolytic MERCK SHARP & DOHME LTD. (GB) 2006-01-19 US disclosed
WO-2004041826-A1 IMIDAZOPYRAZINONES AND IMIDAZOTRIAZINONES DERIVATES AS GABA-A RECEPTOR ANXIOLYTIC MERCK SHARP & DOHME LIMITED (GB) 2004-05-21 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 GABRA1 762/4885GABRG2 779/4885GABRB3 271/4885
US-20060014744-A1 Midazopyrazinones and imidazotriazinones derivates as gaba-a receptor anxiolytic GABRA3, GABRA2, GABRA1 GABRA1 3/4885GABRG2 22/4885GABRB3 11/4885

“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.