SCHEMBL5385380

SCHEMBL5385380

Cn1nc(-c2cccc(C#N)c2)cc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.51
GABRB3 P28472 4/20 0.51
GABRA5 P31644 4/20 0.51
GABRA3 P34903 4/20 0.51
NPY5R Q15761 1/20 0.42
IDO1 P14902 1/20 0.42
GRM5 P41594 3/20 0.41
CLK4 Q9HAZ1 1/20 0.40
TRPA1 O75762 1/20 0.40
ASIC1 P78348 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
HDAC2 Q92769 1/20 0.39
EGLN2 Q96KS0 1/20 0.39

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
SCHEMBL17372934 0.80 MAPT (0.53) ASIC1
SCHEMBL5398740 0.79 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3NPY5R
SCHEMBL5382808 0.79 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3NPY5R
SCHEMBL13975286 0.77 XDH (0.49) IDO1GRM5CLK4CTSSCTSK
SCHEMBL5393535 0.75 ASIC1 (0.43) GABRG2GABRB3GABRA5GABRA3ASIC1
SCHEMBL17489532 0.75 BRD4 (0.48) IDO1GRM5CLK4
SCHEMBL8545474 0.75 MAPT (0.52) NPY5RCLK4EGLN2
SCHEMBL31395062 0.75 GABRG2 (0.65) GABRG2GABRB3GABRA5GABRA3NPY5R
SCHEMBL20491327 0.75 GABRG2 (0.65) GABRG2GABRB3GABRA5GABRA3NPY5R
SCHEMBL22307603 0.73 ALDH1A1 (0.46) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7295376-B2 Pseudo cross-link type resin composition, molding material, sheet or film, and optical element obtained therefrom HITACHI CHEMICAL COMPANY, LTD. (JP) 2007-11-13 US disclosed
US-7271191-B2 Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of Alzheimer's disease MERCK SHARP & DOHME LTD. (GB) 2007-09-18 US disclosed
US-7271191-B2 Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of Alzheimer's disease MERCK SHARP & DOHME LTD. (GB) 2007-09-18 US disclosed
US-7271191-B2 Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of Alzheimer's disease MERCK SHARP & DOHME LTD. (GB) 2007-09-18 US disclosed
US-20060264474-A1 Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of alzheimer's disease MERCK SHARP & DOHME LTD. (GB) 2006-11-23 US disclosed
US-20050038194-A1 Pseudo cross-link type resin composition, molding material, sheet or film, and optical element obtained therefrom YAMANAKA TETSURO (JP) 2005-02-17 US disclosed
WO-2004089911-A1 PYRAZOLE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS USEFUL IN THE TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2004-10-21 WO disclosed
US-6767967-B2 FLEXIBILITY; HYDROGEN BONDED BLEND HITACHI CHEMICAL CO., LTD. (JP) 2004-07-27 US disclosed
US-20030232923-A1 Pseudo cross-link type resin composition, molding material, sheet or film, and optical element obtained therefrom HITACHI CHEMICAL CO., LTD. (JP) 2003-12-18 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-20060264474-A1 Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of alzheimer's disease BACE1, BACE2, PSEN1 GABRG2 588/4885GABRB3 154/4885GABRA5 464/4885

“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.