SCHEMBL2654441

SCHEMBL2654441

CCOC(C)c1ccc2c(c1)ncn2-c1cccc(-c2ccon2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRA2 P47869 1/20 0.40
FGFR1 P11362 9/20 0.39
KMT2A Q03164 2/20 0.36
SRC P12931 3/20 0.36
HPGD P15428 3/20 0.36
KDR P35968 1/20 0.35
MEN1 O00255 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
SCHEMBL2654536 0.93 FGFR1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2655340 0.89 FGFR1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2659849 0.89 FGFR1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2654405 0.89 FGFR1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2652523 0.89 FGFR1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5930023 0.88 FGFR1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2665437 0.85 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2662068 0.82 FGFR1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2659825 0.80 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2655787 0.78 FGFR1 (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex NEUROSEARCH A/S (DK) 2006-03-30 US claimed
US-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex NEUROSEARCH A/S (DK) 2006-03-30 US disclosed
EP-1613618-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA- sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP disclosed
WO-2004087690-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A 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-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex GABRB2, GABRB1, GABRB3 GABRA1 6/4885GABRG2 17/4885GABRB3 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.