SCHEMBL6763606

SCHEMBL6763606

CCn1ncnc1COc1nc2c(-c3ccccc3)nncc2nc1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 14/20 0.40
GABRB3 P28472 14/20 0.40
GABRA3 P34903 14/20 0.40
GABRA1 P14867 10/20 0.40
GABRA2 P47869 8/20 0.40
GABRA5 P31644 5/20 0.40
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TNNI3 P19429 1/20 0.32
CRHBP P24387 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
TNNT2 P45379 1/20 0.32
CASP7 P55210 1/20 0.32
TNNC1 P63316 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL6764518 0.96 GABRG2 (0.43) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2657377 0.85 CASP1 (0.38) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6761392 0.81 GABRG2 (0.40) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2657958 0.80 GABRG2 (0.35) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6763652 0.78 GABRG2 (0.39) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2657906 0.72 GABRA1 (0.45) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7000823 0.72 GABRA1 (0.43) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6292520 0.67 GABRG2 (0.63) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6769562 0.67 GABRG2 (0.58) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7197657 0.64 GABRG2 (0.54) GABRG2GABRB3GABRA3GABRA1GABRA2

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-6730676-B2 CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS MERCK SHARP & DOHME LTD. 2004-05-04 US claimed
US-20030013716-A1 Pyrazino-pyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2003-01-16 US claimed
US-6730676-B2 CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS MERCK SHARP & DOHME LTD. 2004-05-04 US disclosed
US-20030013716-A1 Pyrazino-pyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2003-01-16 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-20030013716-A1 Pyrazino-pyridazine derivatives as ligands for gaba receptors GABRA5, GABRA3, GABRA2 GABRG2 18/4885GABRB3 7/4885GABRA3 2/4885

“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.