SCHEMBL4410068

SCHEMBL4410068

Cc1nc(/C=C/c2c(-c3ccccn3)nnn2C)sc1C(=O)NC1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 11/20 1.00
ITGA5 P08648 2/20 0.44
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
BRD4 O60885 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TGFBR1 P36897 2/20 0.36
MAPK14 Q16539 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
SCHEMBL16290095 0.87 GABRA5 (0.76) GABRA5ITGA5KDM4EBRD4ALDH1A1
SCHEMBL10074897 0.85 GABRA5 (0.87) GABRA5ITGA5ALDH1A1LMNAHTT
SCHEMBL4407571 0.84 GABRA5 (1.00) GABRA5ALDH1A1LMNAHTT
SCHEMBL2683436 0.83 GABRA5 (1.00) GABRA5KDM4EGAAALDH1A1HPGD
SCHEMBL2683440 0.83 GABRA5 (1.00) GABRA5KDM4EGAAALDH1A1HPGD
SCHEMBL2683458 0.82 GABRA5 (0.76) GABRA5KDM4EGAAALDH1A1HPGD
SCHEMBL2684687 0.82 GABRA5 (0.78) GABRA5KDM4EGAAALDH1A1HPGD
SCHEMBL2684684 0.82 GABRA5 (0.78) GABRA5KDM4EGAAALDH1A1HPGD
SCHEMBL4402982 0.73 GABRA5 (1.00) GABRA5MAPK14
SCHEMBL285976 0.72 GABRA5 (0.59) GABRA5ITGA5

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-2638035-B1 Triazole derivatives as ligands for Gaba receptors HOFFMANN LA ROCHE (CH) 2014-12-17 EP disclosed
WO-2012062623-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
US-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II ROCHE PALO ALTO LLC 2012-05-10 US disclosed
US-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II ROCHE PALO ALTO LLC 2012-05-10 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-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II GABRA5, GABRA1, GABRA3 GABRA5 1/4885ITGA5 164/4885KDM4E 1548/4885

“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.