SCHEMBL2652773

SCHEMBL2652773

C[C@H](N)c1ccc2c(c1)ncn2-c1cccc(-c2ccc(NN)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.42
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
GABRA2 P47869 1/20 0.40
HPGD P15428 2/20 0.39
FGFR1 P11362 8/20 0.38
GPR55 Q9Y2T6 1/20 0.37
LCK P06239 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ATM Q13315 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
SCHEMBL2652294 1.00 KDR (0.42) KDRGABRA1GABRG2GABRB3GABRA5
SCHEMBL2651908 1.00 KDR (0.42) KDRGABRA1GABRG2GABRB3GABRA5
SCHEMBL3780134 0.85 FGFR1 (0.48) KDRGABRA1GABRG2GABRB3GABRA5
SCHEMBL2651059 0.85 FGFR1 (0.48) KDRGABRA1GABRG2GABRB3GABRA5
SCHEMBL2653344 0.85 FGFR1 (0.48) KDRGABRA1GABRG2GABRB3GABRA5
SCHEMBL1617249 0.84 KDR (0.52) KDRGABRA1GABRG2GABRB3GABRA5
SCHEMBL1616872 0.84 KDR (0.52) KDRGABRA1GABRG2GABRB3GABRA5
SCHEMBL1617185 0.84 KDR (0.52) KDRGABRA1GABRG2GABRB3GABRA5
SCHEMBL2651085 0.83 GABRA1 (0.56) KDRGABRA1GABRG2GABRB3GABRA5
SCHEMBL2651965 0.83 GABRA1 (0.56) KDRGABRA1GABRG2GABRB3GABRA5

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-7851490-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2010-12-14 US disclosed
EP-1877052-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2009-07-22 EP disclosed
US-20090036493-A1 Benzimidazole Derivatives and Their Use for Modulating the GABA Alpha Receptor Complex ANIONA APS (DK) 2009-02-05 US disclosed
EP-1877052-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-16 EP disclosed
WO-2006108800-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-19 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-20090036493-A1 Benzimidazole Derivatives and Their Use for Modulating the GABA Alpha Receptor Complex GABRB2, GABRB1, GABRB3 KDR 3980/4885GABRA1 7/4885GABRG2 20/4885

“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.