SCHEMBL2963448

SCHEMBL2963448

Cn1ncnc1COCc1cccc(-n2cnc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
DRD4 P21917 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRA5 P31644 1/20 0.38
FGFR1 P11362 10/20 0.37
PLK1 P53350 1/20 0.37
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
CNR2 P34972 1/20 0.36
SRC P12931 1/20 0.35
KDR P35968 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
SCHEMBL2977106 0.89 HPGD (0.39) ALDH1A1HPGDDRD4SIGMAR1GABRG2
SCHEMBL2970496 0.86 FGFR1 (0.50) ALDH1A1HPGDGABRG2GABRB3GABRA3
SCHEMBL2966791 0.85 FGFR1 (0.39) ALDH1A1HPGDFGFR1SRCKDR
SCHEMBL2655991 0.85 GABRG2 (0.39) HPGDGABRG2GABRB3GABRA3GABRA1
SCHEMBL2652859 0.85 FGFR1 (0.38) ALDH1A1HPGDGABRG2GABRB3GABRA3
SCHEMBL13202764 0.84 HPGD (0.41) ALDH1A1HPGDFGFR1SRCKDR
SCHEMBL2654103 0.83 FGFR1 (0.46) ALDH1A1HPGDFGFR1
SCHEMBL2654526 0.82 FGFR1 (0.54) ALDH1A1HPGDGABRG2GABRB3GABRA3
SCHEMBL2653606 0.82 FGFR1 (0.38) HPGDGABRG2GABRB3GABRA3GABRA1
SCHEMBL2652673 0.81 FGFR1 (0.37) HPGDFGFR1SRCKDR

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-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US claimed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 US claimed
US-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US disclosed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 US 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-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex GABRB2, GABRB1, GABRB3 ALDH1A1 600/4885HPGD 1855/4885DRD4 730/4885

“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.