SCHEMBL2684684

SCHEMBL2684684

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

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.78
KDM4E B2RXH2 7/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
GFER P55789 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PAX8 Q06710 1/20 0.33

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
SCHEMBL2684687 1.00 GABRA5 (0.78) GABRA5KDM4EKMT2AALDH1A1GAA
SCHEMBL2683440 0.88 GABRA5 (1.00) GABRA5KDM4EKMT2AALDH1A1GAA
SCHEMBL2683436 0.88 GABRA5 (1.00) GABRA5KDM4EKMT2AALDH1A1GAA
SCHEMBL4410068 0.82 GABRA5 (1.00) GABRA5KDM4EALDH1A1GAALMNA
SCHEMBL2685284 0.79 GABRA5 (0.77) GABRA5KDM4EKMT2AALDH1A1GAA
SCHEMBL2685279 0.79 GABRA5 (0.77) GABRA5KDM4EKMT2AALDH1A1GAA
SCHEMBL16290026 0.79 GABRA5 (0.78) GABRA5KDM4EKMT2AALDH1A1GAA
SCHEMBL16290095 0.74 GABRA5 (0.76) GABRA5KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL2682566 0.73 KDM4E (0.49) GABRA5KDM4EKMT2AALDH1A1GAA
SCHEMBL2684857 0.71 GABRA5 (0.48) GABRA5KDM4EKMT2AALDH1A1LMNA

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 10 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 claimed
US-8697696-B2 Triazole compounds II ROCHE PALO ALTO LLC (US) 2014-04-15 US claimed
EP-2638035-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP claimed
WO-2012062623-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO claimed
US-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II ROCHE PALO ALTO LLC 2012-05-10 US claimed
EP-2638035-B1 Triazole derivatives as ligands for Gaba receptors HOFFMANN LA ROCHE (CH) 2014-12-17 EP disclosed
US-8697696-B2 Triazole compounds II ROCHE PALO ALTO LLC (US) 2014-04-15 US disclosed
EP-2638035-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 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

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 1/4885KDM4E 1548/4885KMT2A 3024/4885

“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.