SCHEMBL6870712

SCHEMBL6870712

c1ccc2c(c1)-c1nncn1Cc1cncn1-2

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 18/20 0.61
GABRB3 P28472 18/20 0.61
GABRA5 P31644 18/20 0.61
ALDH1A1 P00352 1/20 0.38
IDO1 P14902 1/20 0.36

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
SCHEMBL2426577 0.76 GABRG2 (1.00) GABRG2GABRB3GABRA5
SCHEMBL9746791 0.71 GABRA5 (0.53) GABRG2GABRB3GABRA5
SCHEMBL7452911 0.65 GABRA5 (0.47) GABRG2GABRB3GABRA5IDO1
SCHEMBL20677715 0.63 GABRA5 (0.59) GABRG2GABRB3GABRA5ALDH1A1IDO1
SCHEMBL11879520 0.62 GABRG2 (0.40) GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL11497902 0.61 GABRG2 (0.38) GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL16840062 0.61 GABRG2 (0.43) GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL11848247 0.61 SMN1; SMN2 (0.41) GABRG2GABRB3GABRA5ALDH1A1IDO1
SCHEMBL3871685 0.60 GABRG2 (0.77) GABRG2GABRB3GABRA5
SCHEMBL3959344 0.60 GABRG2 (0.44) GABRG2GABRB3GABRA5

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
EP-1337535-B1 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2004-06-09 EP disclosed
US-6743789-B2 SUBSTITUTED IMIDAZO (1,5-A) (1,2,4) TRIAZOLO (4,3-D) (1,4) BENZODIAZEPINE DERIVATIVES ARE USEFUL FOR TREATING ALZHEIMER'S DISEASE; REACTING A BEZODIAZEPINE DERIVATIVE WITH A HYDRAZIDE DERIVATIVE TO FORM END PRODUCT HOFFMANN-LA ROCHE INC. 2004-06-01 US disclosed
US-6743789-B2 SUBSTITUTED IMIDAZO (1,5-A) (1,2,4) TRIAZOLO (4,3-D) (1,4) BENZODIAZEPINE DERIVATIVES ARE USEFUL FOR TREATING ALZHEIMER'S DISEASE; REACTING A BEZODIAZEPINE DERIVATIVE WITH A HYDRAZIDE DERIVATIVE TO FORM END PRODUCT HOFFMANN-LA ROCHE INC. 2004-06-01 US disclosed
US-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2002-08-01 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-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 GABRG2 15/4885GABRB3 11/4885GABRA5 1/4885

“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.