SCHEMBL2654425

SCHEMBL2654425

c1cncc(-c2cccc(-n3cnc4cc(C5CC5)ccc43)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
GABRA2 P47869 1/20 0.54
FGFR1 P11362 5/20 0.41
KCNH2 Q12809 1/20 0.40
DRD2 P14416 2/20 0.39
HPGD P15428 6/20 0.39
DHFR P00374 1/20 0.39
TRPV6 Q9H1D0 1/20 0.38
KDR P35968 1/20 0.38
CYP17A1 P05093 1/20 0.37

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
SCHEMBL2654088 0.84 FGFR1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2647150 0.81 FGFR1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2656285 0.81 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2646283 0.81 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13045092 0.80 FGFR1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2646874 0.80 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2655035 0.80 HPGD (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2655078 0.79 HPGD (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2643332 0.78 FGFR1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2647217 0.78 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US claimed
EP-1613312-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2008-02-20 EP claimed
US-20060148856-A1 Benzimidazole derivatives and their use for modulating the gabaa receptor complex ANIONA APS (DK) 2006-07-06 US claimed
EP-1613312-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP claimed
WO-2004087137-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 WO claimed
US-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US disclosed
US-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US disclosed
US-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US disclosed
EP-1613312-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2008-02-20 EP disclosed
EP-1613312-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2008-02-20 EP disclosed
US-20060148856-A1 Benzimidazole derivatives and their use for modulating the gabaa receptor complex ANIONA APS (DK) 2006-07-06 US disclosed
EP-1613312-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP disclosed
WO-2004087137-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 WO disclosed
WO-2004087137-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 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-20060148856-A1 Benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB2, GABRB1, GABRB3 GABRA1 5/4885GABRG2 16/4885GABRB3 3/4885

“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.