SCHEMBL2685284

SCHEMBL2685284

Cc1nc(C=Cc2c(-c3ccc(F)cc3)nnn2C)sc1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.77
KDM4E B2RXH2 4/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
POLB P06746 1/20 0.37
MAPK14 Q16539 6/20 0.37
CSNK1D P48730 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
GRM5 P41594 1/20 0.34
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL2685279 1.00 GABRA5 (0.77) GABRA5KDM4ERAB9AGAASMN1; SMN2
SCHEMBL2683793 0.87 GABRA5 (1.00) GABRA5KDM4ERAB9ANPC1CSNK1D
SCHEMBL2683802 0.87 GABRA5 (1.00) GABRA5KDM4ERAB9ANPC1CSNK1D
SCHEMBL2683796 0.85 GABRA5 (0.75) GABRA5RAB9ANPC1MAPK14ALDH1A1
SCHEMBL4407571 0.81 GABRA5 (1.00) GABRA5CSNK1DALDH1A1
SCHEMBL2684684 0.79 GABRA5 (0.78) GABRA5KDM4ERAB9AGAASMN1; SMN2
SCHEMBL2684687 0.79 GABRA5 (0.78) GABRA5KDM4ERAB9AGAASMN1; SMN2
SCHEMBL2684034 0.78 GABRA5 (0.74) GABRA5KDM4ERAB9AGAASMN1; SMN2
SCHEMBL2684032 0.78 GABRA5 (0.74) GABRA5KDM4ERAB9AGAASMN1; SMN2
SCHEMBL10074897 0.73 GABRA5 (0.87) GABRA5RAB9ANPC1ALDH1A1

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-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 1548/4885RAB9A 1207/4885

“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.